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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/e17-f544e6d1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e17-f544e6d1/inputs/seq.fa: 1
curr_seq: _GCCGUUUGGGCCCAAGUUCGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCCGUUUGGGCCCAAGUUCGGC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -81.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798677 (E_RNA)
where:
Base-Base interactions energy: 0.076
where: short stacking energy: 0.076
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -144.940871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.940871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.940871 (E_RNA)
where:
Base-Base interactions energy: -67.181
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.026
local terms energy: -77.733734
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -127.418226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.418226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.418226 (E_RNA)
where:
Base-Base interactions energy: -61.605
where: short stacking energy: -48.511
Base-Backbone interact. energy: -0.328
local terms energy: -65.484474
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -121.889409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.889409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.889409 (E_RNA)
where:
Base-Base interactions energy: -54.733
where: short stacking energy: -54.733
Base-Backbone interact. energy: -0.188
local terms energy: -66.968364
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -128.403711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.403711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.403711 (E_RNA)
where:
Base-Base interactions energy: -65.689
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.106
local terms energy: -62.608667
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -105.258851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258851 (E_RNA)
where:
Base-Base interactions energy: -41.597
where: short stacking energy: -41.897
Base-Backbone interact. energy: -0.554
local terms energy: -63.107662
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -102.235929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.235929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.235929 (E_RNA)
where:
Base-Base interactions energy: -47.417
where: short stacking energy: -47.417
Base-Backbone interact. energy: -0.000
local terms energy: -54.818619
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -10.588
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -115.095559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.095559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.095559 (E_RNA)
where:
Base-Base interactions energy: -58.261
where: short stacking energy: -56.800
Base-Backbone interact. energy: 0.445
local terms energy: -57.279257
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -91.379962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.379962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.379962 (E_RNA)
where:
Base-Base interactions energy: -39.503
where: short stacking energy: -39.503
Base-Backbone interact. energy: 0.220
local terms energy: -52.097029
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -90.542837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.542837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.542837 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -40.034
Base-Backbone interact. energy: -0.091
local terms energy: -47.305200
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -7.225
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -5.664
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -117.171033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.171033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.171033 (E_RNA)
where:
Base-Base interactions energy: -74.274
where: short stacking energy: -36.388
Base-Backbone interact. energy: -0.128
local terms energy: -42.769914
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -188.032025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.032025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.032025 (E_RNA)
where:
Base-Base interactions energy: -116.473
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.036
local terms energy: -71.522521
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -13.456
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -158.247588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.247588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.247588 (E_RNA)
where:
Base-Base interactions energy: -96.657
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.081
local terms energy: -61.509709
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -7.518
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -125.348523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.348523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.348523 (E_RNA)
where:
Base-Base interactions energy: -59.245
where: short stacking energy: -46.566
Base-Backbone interact. energy: 2.084
local terms energy: -68.187548
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -126.772324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.772324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.772324 (E_RNA)
where:
Base-Base interactions energy: -56.450
where: short stacking energy: -56.450
Base-Backbone interact. energy: -0.004
local terms energy: -70.317508
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -118.102880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.102880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.102880 (E_RNA)
where:
Base-Base interactions energy: -51.100
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.647
local terms energy: -66.356025
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -12.132
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -140.822213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.822213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.822213 (E_RNA)
where:
Base-Base interactions energy: -83.987
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.807
local terms energy: -56.028082
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -108.686939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.686939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.686939 (E_RNA)
where:
Base-Base interactions energy: -60.801
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.351
local terms energy: -47.534451
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -97.680826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.680826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.680826 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.133
local terms energy: -63.377038
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -95.822191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.822191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.822191 (E_RNA)
where:
Base-Base interactions energy: -43.787
where: short stacking energy: -31.519
Base-Backbone interact. energy: -0.283
local terms energy: -51.752030
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -145.987539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.987539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.987539 (E_RNA)
where:
Base-Base interactions energy: -99.195
where: short stacking energy: -45.282
Base-Backbone interact. energy: -0.044
local terms energy: -46.748641
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -4.213
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: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -217.703627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.703627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.703627 (E_RNA)
where:
Base-Base interactions energy: -143.944
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.141
local terms energy: -73.618007
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -184.646890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.646890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.646890 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.122
local terms energy: -65.249859
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -7.252
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -139.950669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.950669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.950669 (E_RNA)
where:
Base-Base interactions energy: -71.377
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.304
local terms energy: -68.269778
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -12.039
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -167.519830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.519830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.519830 (E_RNA)
where:
Base-Base interactions energy: -100.336
where: short stacking energy: -49.007
Base-Backbone interact. energy: -0.387
local terms energy: -66.797203
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -195.976718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.976718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.976718 (E_RNA)
where:
Base-Base interactions energy: -133.932
where: short stacking energy: -57.015
Base-Backbone interact. energy: -0.212
local terms energy: -61.832721
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -11.206
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -117.609936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.609936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.609936 (E_RNA)
where:
Base-Base interactions energy: -48.164
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.116
local terms energy: -69.329682
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -10.139
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -97.680073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.680073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.680073 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -38.182
Base-Backbone interact. energy: 0.320
local terms energy: -55.425656
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -3.114
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -111.355520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.355520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.355520 (E_RNA)
where:
Base-Base interactions energy: -57.461
where: short stacking energy: -31.622
Base-Backbone interact. energy: 0.999
local terms energy: -54.893900
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -6.835
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -156.744476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.744476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.744476 (E_RNA)
where:
Base-Base interactions energy: -90.411
where: short stacking energy: -49.385
Base-Backbone interact. energy: -0.004
local terms energy: -66.329602
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.719
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)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -93.344241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.344241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.344241 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.130
local terms energy: -52.778551
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -222.237465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.237465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.237465 (E_RNA)
where:
Base-Base interactions energy: -157.854
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.002
local terms energy: -64.381829
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -18.281
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: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -220.089398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.089398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.089398 (E_RNA)
where:
Base-Base interactions energy: -145.174
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.024
local terms energy: -74.891937
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -150.966312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.966312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.966312 (E_RNA)
where:
Base-Base interactions energy: -86.184
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.035
local terms energy: -64.747451
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -210.319378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.319378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.319378 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -59.533
Base-Backbone interact. energy: 0.391
local terms energy: -69.452195
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -185.309447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.309447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.309447 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -74.211
Base-Backbone interact. energy: -0.086
local terms energy: -63.260051
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -118.643931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.643931 (E_RNA)
where:
Base-Base interactions energy: -56.526
where: short stacking energy: -40.316
Base-Backbone interact. energy: -0.164
local terms energy: -61.953226
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -90.898813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.898813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.898813 (E_RNA)
where:
Base-Base interactions energy: -30.455
where: short stacking energy: -30.455
Base-Backbone interact. energy: -0.316
local terms energy: -60.127056
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -2.977
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -160.105532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.105532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.105532 (E_RNA)
where:
Base-Base interactions energy: -93.973
where: short stacking energy: -41.985
Base-Backbone interact. energy: -0.276
local terms energy: -65.856723
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -98.280852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280852 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.029
local terms energy: -53.534718
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -88.148059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.148059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.148059 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.071
local terms energy: -50.305656
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -222.153812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.153812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.153812 (E_RNA)
where:
Base-Base interactions energy: -146.610
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.337
local terms energy: -75.206264
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -230.599989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.599989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.599989 (E_RNA)
where:
Base-Base interactions energy: -163.715
where: short stacking energy: -73.928
Base-Backbone interact. energy: -0.003
local terms energy: -66.882751
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -202.709078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.709078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.709078 (E_RNA)
where:
Base-Base interactions energy: -138.284
where: short stacking energy: -57.946
Base-Backbone interact. energy: -0.839
local terms energy: -63.585326
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -9.274
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: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -140.748958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.748958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.748958 (E_RNA)
where:
Base-Base interactions energy: -73.700
where: short stacking energy: -58.853
Base-Backbone interact. energy: 0.100
local terms energy: -67.149254
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -11.164
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: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -146.760151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.760151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.760151 (E_RNA)
where:
Base-Base interactions energy: -79.882
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.008
local terms energy: -66.870735
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -165.363002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.363002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.363002 (E_RNA)
where:
Base-Base interactions energy: -97.639
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.004
local terms energy: -67.720823
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -13.678
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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -159.697356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.697356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.697356 (E_RNA)
where:
Base-Base interactions energy: -103.398
where: short stacking energy: -50.263
Base-Backbone interact. energy: 0.082
local terms energy: -56.381943
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -8.141
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -88.529817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.529817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.529817 (E_RNA)
where:
Base-Base interactions energy: -41.462
where: short stacking energy: -31.467
Base-Backbone interact. energy: 1.444
local terms energy: -48.512104
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -87.591017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591017 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -30.940
Base-Backbone interact. energy: -0.264
local terms energy: -53.245259
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -82.237024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237024 (E_RNA)
where:
Base-Base interactions energy: -37.438
where: short stacking energy: -25.863
Base-Backbone interact. energy: -0.103
local terms energy: -44.695518
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -238.275196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.275196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.275196 (E_RNA)
where:
Base-Base interactions energy: -167.614
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.090
local terms energy: -70.571419
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -214.308027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.308027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.308027 (E_RNA)
where:
Base-Base interactions energy: -138.322
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.110
local terms energy: -75.876197
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -16.198
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: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -226.712814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.712814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.712814 (E_RNA)
where:
Base-Base interactions energy: -157.758
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.235
local terms energy: -68.720514
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -129.290073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.290073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.290073 (E_RNA)
where:
Base-Base interactions energy: -70.117
where: short stacking energy: -48.989
Base-Backbone interact. energy: -0.054
local terms energy: -59.119300
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -169.208778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.208778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.208778 (E_RNA)
where:
Base-Base interactions energy: -102.180
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.838
local terms energy: -66.191332
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -173.567207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.567207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.567207 (E_RNA)
where:
Base-Base interactions energy: -108.194
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.038
local terms energy: -65.335052
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -15.728
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: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -150.694901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.694901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.694901 (E_RNA)
where:
Base-Base interactions energy: -89.861
where: short stacking energy: -47.609
Base-Backbone interact. energy: -1.779
local terms energy: -59.054780
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -96.356698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.356698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.356698 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -40.218
Base-Backbone interact. energy: -0.012
local terms energy: -56.126386
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -89.340461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340461 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.110
local terms energy: -52.337260
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -79.263979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.263979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.263979 (E_RNA)
where:
Base-Base interactions energy: -20.605
where: short stacking energy: -20.605
Base-Backbone interact. energy: -0.089
local terms energy: -58.569505
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -230.555556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.555556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.555556 (E_RNA)
where:
Base-Base interactions energy: -163.690
where: short stacking energy: -77.219
Base-Backbone interact. energy: -0.037
local terms energy: -66.828748
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -242.471267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.471267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.471267 (E_RNA)
where:
Base-Base interactions energy: -164.625
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.194
local terms energy: -77.652154
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -17.371
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: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -225.007625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.007625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.007625 (E_RNA)
where:
Base-Base interactions energy: -155.178
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.168
local terms energy: -69.661775
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -11.409
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -123.866004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.866004 (E_RNA)
where:
Base-Base interactions energy: -55.462
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.744
local terms energy: -67.660317
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -199.261687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.261687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.261687 (E_RNA)
where:
Base-Base interactions energy: -132.024
where: short stacking energy: -54.683
Base-Backbone interact. energy: -0.155
local terms energy: -67.082300
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -154.394834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.394834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.394834 (E_RNA)
where:
Base-Base interactions energy: -97.122
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.141
local terms energy: -57.131969
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -6.290
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -159.028482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.028482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.028482 (E_RNA)
where:
Base-Base interactions energy: -94.794
where: short stacking energy: -50.353
Base-Backbone interact. energy: -1.007
local terms energy: -63.227114
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -92.009947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.009947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.009947 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.063
local terms energy: -57.137698
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -92.286667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.286667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.286667 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.252
local terms energy: -55.182551
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -9.458
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -88.288131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.288131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.288131 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.114
local terms energy: -51.092283
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -233.408602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408602 (E_RNA)
where:
Base-Base interactions energy: -158.964
where: short stacking energy: -69.943
Base-Backbone interact. energy: -0.218
local terms energy: -74.226641
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -234.492256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.492256 (E_RNA)
where:
Base-Base interactions energy: -163.820
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.141
local terms energy: -70.531754
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -224.570953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.570953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.570953 (E_RNA)
where:
Base-Base interactions energy: -157.609
where: short stacking energy: -61.452
Base-Backbone interact. energy: -1.258
local terms energy: -65.703194
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -204.872638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.872638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.872638 (E_RNA)
where:
Base-Base interactions energy: -136.077
where: short stacking energy: -52.521
Base-Backbone interact. energy: -0.898
local terms energy: -67.897196
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -119.945460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.945460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.945460 (E_RNA)
where:
Base-Base interactions energy: -63.343
where: short stacking energy: -43.797
Base-Backbone interact. energy: -0.024
local terms energy: -56.578798
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.968
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: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -165.176239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.176239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.176239 (E_RNA)
where:
Base-Base interactions energy: -103.499
where: short stacking energy: -47.378
Base-Backbone interact. energy: -1.012
local terms energy: -60.665643
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -177.301939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.301939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.301939 (E_RNA)
where:
Base-Base interactions energy: -114.096
where: short stacking energy: -52.107
Base-Backbone interact. energy: -1.644
local terms energy: -61.562391
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -12.757
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)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -109.633319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.633319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.633319 (E_RNA)
where:
Base-Base interactions energy: -55.838
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.522
local terms energy: -53.273735
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -85.901172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.901172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.901172 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -26.775
Base-Backbone interact. energy: 1.767
local terms energy: -59.795359
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -3.001
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -81.516716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516716 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.201
local terms energy: -46.475225
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -245.523748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.523748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.523748 (E_RNA)
where:
Base-Base interactions energy: -174.454
where: short stacking energy: -80.517
Base-Backbone interact. energy: 0.090
local terms energy: -71.159632
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -232.090856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.090856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.090856 (E_RNA)
where:
Base-Base interactions energy: -157.017
where: short stacking energy: -72.699
Base-Backbone interact. energy: -0.626
local terms energy: -74.447473
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -197.883354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.883354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.883354 (E_RNA)
where:
Base-Base interactions energy: -139.418
where: short stacking energy: -51.781
Base-Backbone interact. energy: 1.682
local terms energy: -60.146625
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -207.817969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.817969 (E_RNA)
where:
Base-Base interactions energy: -145.320
where: short stacking energy: -53.990
Base-Backbone interact. energy: -0.209
local terms energy: -62.288758
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -184.706485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.706485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.706485 (E_RNA)
where:
Base-Base interactions energy: -112.888
where: short stacking energy: -59.464
Base-Backbone interact. energy: -1.479
local terms energy: -70.339059
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -152.951496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951496 (E_RNA)
where:
Base-Base interactions energy: -94.995
where: short stacking energy: -51.179
Base-Backbone interact. energy: 0.236
local terms energy: -58.191612
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -172.152909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.152909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.152909 (E_RNA)
where:
Base-Base interactions energy: -104.192
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.117
local terms energy: -67.843310
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -96.219997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.219997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.219997 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.506
local terms energy: -62.427745
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -89.385002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385002 (E_RNA)
where:
Base-Base interactions energy: -36.174
where: short stacking energy: -36.174
Base-Backbone interact. energy: 0.973
local terms energy: -54.184841
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -11.541
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -82.142790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.142790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.142790 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -39.165
Base-Backbone interact. energy: 0.066
local terms energy: -43.043726
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -2.264
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -243.421132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.421132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.421132 (E_RNA)
where:
Base-Base interactions energy: -168.378
where: short stacking energy: -77.848
Base-Backbone interact. energy: -0.006
local terms energy: -75.037049
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -15.729
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -238.024441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.024441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.024441 (E_RNA)
where:
Base-Base interactions energy: -159.987
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.315
local terms energy: -77.722389
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -182.418311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.418311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.418311 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -46.617
Base-Backbone interact. energy: 0.012
local terms energy: -51.246414
where:
bonds (distance) C4'-P energy: -9.227
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -187.427898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.427898 (E_RNA)
where:
Base-Base interactions energy: -117.089
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.003
local terms energy: -70.336658
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -194.036386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.036386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.036386 (E_RNA)
where:
Base-Base interactions energy: -136.071
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.089
local terms energy: -57.876416
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -174.410001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.410001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.410001 (E_RNA)
where:
Base-Base interactions energy: -107.919
where: short stacking energy: -63.045
Base-Backbone interact. energy: 0.064
local terms energy: -66.554828
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -13.255
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: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -159.214143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.214143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.214143 (E_RNA)
where:
Base-Base interactions energy: -91.425
where: short stacking energy: -49.862
Base-Backbone interact. energy: 0.779
local terms energy: -68.568458
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -95.269398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.269398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.269398 (E_RNA)
where:
Base-Base interactions energy: -45.335
where: short stacking energy: -41.087
Base-Backbone interact. energy: -0.091
local terms energy: -49.842835
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -1.758
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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -76.266758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.266758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.266758 (E_RNA)
where:
Base-Base interactions energy: -32.743
where: short stacking energy: -24.997
Base-Backbone interact. energy: -0.238
local terms energy: -43.285522
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -84.487172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.487172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.487172 (E_RNA)
where:
Base-Base interactions energy: -35.206
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.214
local terms energy: -49.067275
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -239.941099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.941099 (E_RNA)
where:
Base-Base interactions energy: -167.394
where: short stacking energy: -72.772
Base-Backbone interact. energy: -0.502
local terms energy: -72.044708
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -233.442515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.442515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.442515 (E_RNA)
where:
Base-Base interactions energy: -157.528
where: short stacking energy: -74.697
Base-Backbone interact. energy: -0.002
local terms energy: -75.912413
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -19.474
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: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -193.135832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.135832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.135832 (E_RNA)
where:
Base-Base interactions energy: -119.622
where: short stacking energy: -68.855
Base-Backbone interact. energy: -0.031
local terms energy: -73.482901
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -179.273138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.273138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.273138 (E_RNA)
where:
Base-Base interactions energy: -112.703
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.105
local terms energy: -66.464942
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -19.176
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: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -202.977649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.977649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.977649 (E_RNA)
where:
Base-Base interactions energy: -138.287
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.688
local terms energy: -64.002504
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -169.026728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.026728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.026728 (E_RNA)
where:
Base-Base interactions energy: -99.202
where: short stacking energy: -51.654
Base-Backbone interact. energy: -0.081
local terms energy: -69.743874
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -10.613
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: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -163.862171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.862171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.862171 (E_RNA)
where:
Base-Base interactions energy: -103.308
where: short stacking energy: -47.764
Base-Backbone interact. energy: -0.121
local terms energy: -60.432601
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.063
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: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -98.958232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.958232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.958232 (E_RNA)
where:
Base-Base interactions energy: -48.935
where: short stacking energy: -48.935
Base-Backbone interact. energy: -0.265
local terms energy: -49.758142
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -85.379674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379674 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -33.125
Base-Backbone interact. energy: -0.184
local terms energy: -52.070607
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -88.092443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.092443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.092443 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.020
local terms energy: -57.664669
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -244.830552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.830552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.830552 (E_RNA)
where:
Base-Base interactions energy: -167.687
where: short stacking energy: -73.726
Base-Backbone interact. energy: -0.182
local terms energy: -76.960923
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -16.446
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: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -236.756771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.756771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.756771 (E_RNA)
where:
Base-Base interactions energy: -164.593
where: short stacking energy: -71.086
Base-Backbone interact. energy: 0.583
local terms energy: -72.747391
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -186.801785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.801785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.801785 (E_RNA)
where:
Base-Base interactions energy: -118.999
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.225
local terms energy: -67.577797
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -218.821871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821871 (E_RNA)
where:
Base-Base interactions energy: -155.095
where: short stacking energy: -71.298
Base-Backbone interact. energy: -0.278
local terms energy: -63.448885
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -179.416829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.416829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.416829 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -52.953
Base-Backbone interact. energy: 0.476
local terms energy: -55.430506
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -11.590
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -162.490748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.490748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.490748 (E_RNA)
where:
Base-Base interactions energy: -103.791
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.104
local terms energy: -58.595689
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -0.739
tors. eta vs tors. theta energy: -12.935
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: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -161.510827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.510827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.510827 (E_RNA)
where:
Base-Base interactions energy: -102.526
where: short stacking energy: -53.262
Base-Backbone interact. energy: 0.108
local terms energy: -59.092475
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -93.905608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.905608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.905608 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -36.958
Base-Backbone interact. energy: -0.041
local terms energy: -56.906259
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -11.171
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: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -82.854919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854919 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -33.049
Base-Backbone interact. energy: -0.552
local terms energy: -49.253766
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -4.868
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: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -83.360278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360278 (E_RNA)
where:
Base-Base interactions energy: -29.640
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.219
local terms energy: -53.501643
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -239.291120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.291120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.291120 (E_RNA)
where:
Base-Base interactions energy: -167.776
where: short stacking energy: -73.918
Base-Backbone interact. energy: -0.005
local terms energy: -71.510139
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.404
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: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -237.194062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.194062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.194062 (E_RNA)
where:
Base-Base interactions energy: -160.878
where: short stacking energy: -71.245
Base-Backbone interact. energy: -0.225
local terms energy: -76.091443
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -224.096793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.096793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.096793 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.290
local terms energy: -71.748357
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -11.896
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: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -188.012106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.012106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.012106 (E_RNA)
where:
Base-Base interactions energy: -119.539
where: short stacking energy: -48.338
Base-Backbone interact. energy: -0.151
local terms energy: -68.321737
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -170.784171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.784171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.784171 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -61.340
Base-Backbone interact. energy: -0.089
local terms energy: -65.239023
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -168.742680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.742680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742680 (E_RNA)
where:
Base-Base interactions energy: -105.440
where: short stacking energy: -49.204
Base-Backbone interact. energy: -0.209
local terms energy: -63.093753
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -98.600517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.600517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.600517 (E_RNA)
where:
Base-Base interactions energy: -38.755
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.312
local terms energy: -59.534035
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -155.571096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.571096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.571096 (E_RNA)
where:
Base-Base interactions energy: -94.512
where: short stacking energy: -48.435
Base-Backbone interact. energy: 1.127
local terms energy: -62.186211
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -76.214135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.214135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.214135 (E_RNA)
where:
Base-Base interactions energy: -25.128
where: short stacking energy: -22.910
Base-Backbone interact. energy: -0.134
local terms energy: -50.951968
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -89.398868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.398868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.398868 (E_RNA)
where:
Base-Base interactions energy: -38.320
where: short stacking energy: -38.320
Base-Backbone interact. energy: 1.076
local terms energy: -52.154815
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -247.116257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.116257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.116257 (E_RNA)
where:
Base-Base interactions energy: -165.454
where: short stacking energy: -73.574
Base-Backbone interact. energy: -0.725
local terms energy: -80.936634
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -227.268050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.268050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.268050 (E_RNA)
where:
Base-Base interactions energy: -150.284
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.234
local terms energy: -76.749661
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -237.034751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.034751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.034751 (E_RNA)
where:
Base-Base interactions energy: -168.104
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.244
local terms energy: -68.686670
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -175.660477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.660477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.660477 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.808
local terms energy: -66.685730
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -183.030429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.030429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.030429 (E_RNA)
where:
Base-Base interactions energy: -115.688
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.676
local terms energy: -66.666246
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -183.000296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.000296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.000296 (E_RNA)
where:
Base-Base interactions energy: -120.685
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.458
local terms energy: -61.857878
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.817
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -98.080787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.080787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.080787 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -37.542
Base-Backbone interact. energy: -0.239
local terms energy: -54.730091
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -148.200827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.200827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.200827 (E_RNA)
where:
Base-Base interactions energy: -88.837
where: short stacking energy: -39.675
Base-Backbone interact. energy: -0.638
local terms energy: -58.726306
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -83.488842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.488842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.488842 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.096
local terms energy: -45.645960
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -84.190121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.190121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.190121 (E_RNA)
where:
Base-Base interactions energy: -43.952
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.274
local terms energy: -39.964086
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -249.663461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.663461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.663461 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -70.029
Base-Backbone interact. energy: -0.350
local terms energy: -74.487101
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -8.474
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: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -233.753499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.753499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.753499 (E_RNA)
where:
Base-Base interactions energy: -159.378
where: short stacking energy: -70.339
Base-Backbone interact. energy: 1.853
local terms energy: -76.228349
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -18.717
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: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -229.558665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.558665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.558665 (E_RNA)
where:
Base-Base interactions energy: -163.085
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.307
local terms energy: -66.167335
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -192.967178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.967178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.967178 (E_RNA)
where:
Base-Base interactions energy: -123.128
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.195
local terms energy: -69.643444
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -15.614
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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -179.699942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.699942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.699942 (E_RNA)
where:
Base-Base interactions energy: -110.921
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.230
local terms energy: -68.548989
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -168.705839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.705839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.705839 (E_RNA)
where:
Base-Base interactions energy: -98.198
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.148
local terms energy: -70.359709
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -8.768
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: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -167.016978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.016978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.016978 (E_RNA)
where:
Base-Base interactions energy: -101.914
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.010
local terms energy: -65.092658
where:
bonds (distance) C4'-P energy: -6.815
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -15.073
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: 16
Temperature: 1.250000
Total energy: -93.679498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.679498 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -34.639
Base-Backbone interact. energy: 0.424
local terms energy: -59.464866
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -4.817
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -98.528909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.528909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.528909 (E_RNA)
where:
Base-Base interactions energy: -51.125
where: short stacking energy: -28.445
Base-Backbone interact. energy: -2.206
local terms energy: -45.198172
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -82.997215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.997215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.997215 (E_RNA)
where:
Base-Base interactions energy: -37.491
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.208
local terms energy: -45.298156
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -5.620
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -242.373964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.373964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.373964 (E_RNA)
where:
Base-Base interactions energy: -166.116
where: short stacking energy: -69.018
Base-Backbone interact. energy: -1.431
local terms energy: -74.826864
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -239.348104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.348104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.348104 (E_RNA)
where:
Base-Base interactions energy: -167.997
where: short stacking energy: -67.973
Base-Backbone interact. energy: 1.190
local terms energy: -72.540712
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -16.335
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: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -229.193181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.193181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.193181 (E_RNA)
where:
Base-Base interactions energy: -153.040
where: short stacking energy: -65.446
Base-Backbone interact. energy: -0.043
local terms energy: -76.111022
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -16.286
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: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -184.260256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.260256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.260256 (E_RNA)
where:
Base-Base interactions energy: -121.870
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.397
local terms energy: -61.993641
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -169.724140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.724140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.724140 (E_RNA)
where:
Base-Base interactions energy: -112.004
where: short stacking energy: -45.300
Base-Backbone interact. energy: -0.935
local terms energy: -56.785177
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -174.312512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.312512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.312512 (E_RNA)
where:
Base-Base interactions energy: -110.897
where: short stacking energy: -48.192
Base-Backbone interact. energy: 1.852
local terms energy: -65.267425
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -162.681352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.681352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.681352 (E_RNA)
where:
Base-Base interactions energy: -108.342
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.006
local terms energy: -54.333385
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -86.158614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.158614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.158614 (E_RNA)
where:
Base-Base interactions energy: -31.568
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.336
local terms energy: -54.253868
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -96.654041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.654041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.654041 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -41.093
Base-Backbone interact. energy: -0.265
local terms energy: -52.463512
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -90.138795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.138795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.138795 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.083
local terms energy: -59.586260
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -239.666043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.666043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.666043 (E_RNA)
where:
Base-Base interactions energy: -162.567
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.121
local terms energy: -76.978349
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -239.290944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.290944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.290944 (E_RNA)
where:
Base-Base interactions energy: -166.229
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.312
local terms energy: -72.749975
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.176
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: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -228.478160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.478160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.478160 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.445
local terms energy: -74.392786
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -15.360
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -191.146574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.146574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.146574 (E_RNA)
where:
Base-Base interactions energy: -125.347
where: short stacking energy: -66.670
Base-Backbone interact. energy: -0.049
local terms energy: -65.750319
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -15.177
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: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -182.384877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.384877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.384877 (E_RNA)
where:
Base-Base interactions energy: -117.265
where: short stacking energy: -52.581
Base-Backbone interact. energy: -0.132
local terms energy: -64.986963
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -11.257
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: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -162.245848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.245848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.245848 (E_RNA)
where:
Base-Base interactions energy: -100.887
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.008
local terms energy: -61.350455
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -168.703731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.703731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.703731 (E_RNA)
where:
Base-Base interactions energy: -102.995
where: short stacking energy: -46.547
Base-Backbone interact. energy: -0.550
local terms energy: -65.157908
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -81.817732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.817732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.817732 (E_RNA)
where:
Base-Base interactions energy: -31.470
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.154
local terms energy: -50.194427
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.669
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: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -93.930361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.930361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.930361 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -39.487
Base-Backbone interact. energy: -0.204
local terms energy: -54.238664
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.667971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.667971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.667971 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -18.811
Base-Backbone interact. energy: -0.178
local terms energy: -39.755948
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -237.204492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.204492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.204492 (E_RNA)
where:
Base-Base interactions energy: -163.979
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.277
local terms energy: -72.948241
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -232.832780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.832780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.832780 (E_RNA)
where:
Base-Base interactions energy: -159.676
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.078
local terms energy: -73.079360
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -224.208285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.208285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.208285 (E_RNA)
where:
Base-Base interactions energy: -151.675
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.635
local terms energy: -71.898298
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -16.735
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: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -184.680285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.680285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.680285 (E_RNA)
where:
Base-Base interactions energy: -117.173
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.279
local terms energy: -67.228724
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -171.073292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.073292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.073292 (E_RNA)
where:
Base-Base interactions energy: -109.232
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.039
local terms energy: -61.802396
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -175.859998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.859998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.859998 (E_RNA)
where:
Base-Base interactions energy: -113.499
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.388
local terms energy: -61.973304
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -161.490138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.490138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.490138 (E_RNA)
where:
Base-Base interactions energy: -90.669
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.029
local terms energy: -70.791613
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -93.919288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919288 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.089
local terms energy: -61.329059
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -88.373800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373800 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.119
local terms energy: -56.547901
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -82.885078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.885078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.885078 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.215
local terms energy: -51.349356
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -234.029920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029920 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -73.342
Base-Backbone interact. energy: -0.070
local terms energy: -71.055219
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -242.671945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.671945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.671945 (E_RNA)
where:
Base-Base interactions energy: -169.872
where: short stacking energy: -71.466
Base-Backbone interact. energy: -0.163
local terms energy: -72.637115
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -18.476
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -229.800540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.800540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.800540 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -70.974
Base-Backbone interact. energy: -0.066
local terms energy: -69.332044
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -190.139057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.139057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.139057 (E_RNA)
where:
Base-Base interactions energy: -121.788
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.457
local terms energy: -67.893392
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -11.104
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: 20
Temperature: 1.100000
Total energy: -173.738612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.738612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.738612 (E_RNA)
where:
Base-Base interactions energy: -103.573
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.000
local terms energy: -70.165821
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -15.050
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: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -175.043943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.043943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.043943 (E_RNA)
where:
Base-Base interactions energy: -102.518
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.090
local terms energy: -72.435055
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -158.494349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.494349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.494349 (E_RNA)
where:
Base-Base interactions energy: -94.987
where: short stacking energy: -53.422
Base-Backbone interact. energy: -0.292
local terms energy: -63.214883
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -93.627184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.627184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.627184 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.072
local terms energy: -57.822257
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -7.512
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: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -90.598426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598426 (E_RNA)
where:
Base-Base interactions energy: -45.010
where: short stacking energy: -28.823
Base-Backbone interact. energy: 0.067
local terms energy: -45.655989
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -9.226
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -87.536096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.536096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.536096 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -27.739
Base-Backbone interact. energy: -0.198
local terms energy: -56.182119
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -8.575
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: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -235.864565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.864565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.864565 (E_RNA)
where:
Base-Base interactions energy: -165.169
where: short stacking energy: -83.900
Base-Backbone interact. energy: -0.024
local terms energy: -70.671692
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -235.225126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.225126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.225126 (E_RNA)
where:
Base-Base interactions energy: -168.620
where: short stacking energy: -69.589
Base-Backbone interact. energy: -0.416
local terms energy: -66.189138
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -231.208100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.208100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.208100 (E_RNA)
where:
Base-Base interactions energy: -173.811
where: short stacking energy: -60.364
Base-Backbone interact. energy: -0.200
local terms energy: -57.196766
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -13.004
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: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -189.514479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.514479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.514479 (E_RNA)
where:
Base-Base interactions energy: -120.487
where: short stacking energy: -55.868
Base-Backbone interact. energy: -0.090
local terms energy: -68.937002
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -11.601
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: 21
Temperature: 1.100000
Total energy: -184.162753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.162753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.162753 (E_RNA)
where:
Base-Base interactions energy: -118.634
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.145
local terms energy: -65.384050
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -159.466325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.466325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.466325 (E_RNA)
where:
Base-Base interactions energy: -99.416
where: short stacking energy: -46.128
Base-Backbone interact. energy: -0.201
local terms energy: -59.849240
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -9.735
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -172.307691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.307691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.307691 (E_RNA)
where:
Base-Base interactions energy: -102.654
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.026
local terms energy: -69.627174
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -16.735
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: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -93.596021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.596021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.596021 (E_RNA)
where:
Base-Base interactions energy: -42.484
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.399
local terms energy: -50.713162
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -3.251
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: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -96.590657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590657 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.254
local terms energy: -57.901383
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -78.872282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.872282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.872282 (E_RNA)
where:
Base-Base interactions energy: -26.301
where: short stacking energy: -26.301
Base-Backbone interact. energy: -0.087
local terms energy: -52.484028
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.017
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: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -237.195734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.195734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.195734 (E_RNA)
where:
Base-Base interactions energy: -161.750
where: short stacking energy: -63.112
Base-Backbone interact. energy: 0.209
local terms energy: -75.654532
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -15.753
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -226.146302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.146302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.146302 (E_RNA)
where:
Base-Base interactions energy: -154.001
where: short stacking energy: -77.863
Base-Backbone interact. energy: -0.363
local terms energy: -71.782728
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -233.178008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.178008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.178008 (E_RNA)
where:
Base-Base interactions energy: -160.177
where: short stacking energy: -61.356
Base-Backbone interact. energy: -0.738
local terms energy: -72.262942
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -166.479214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.479214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.479214 (E_RNA)
where:
Base-Base interactions energy: -104.098
where: short stacking energy: -51.411
Base-Backbone interact. energy: -0.918
local terms energy: -61.462888
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -175.929051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.929051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.929051 (E_RNA)
where:
Base-Base interactions energy: -105.131
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.019
local terms energy: -70.778577
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -11.916
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: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -164.999257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.999257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.999257 (E_RNA)
where:
Base-Base interactions energy: -101.877
where: short stacking energy: -52.398
Base-Backbone interact. energy: 1.486
local terms energy: -64.608614
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -184.813338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.813338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.813338 (E_RNA)
where:
Base-Base interactions energy: -126.607
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.382
local terms energy: -57.823602
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -105.496263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.496263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.496263 (E_RNA)
where:
Base-Base interactions energy: -47.252
where: short stacking energy: -46.838
Base-Backbone interact. energy: -0.007
local terms energy: -58.236542
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -92.036758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.036758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.036758 (E_RNA)
where:
Base-Base interactions energy: -37.511
where: short stacking energy: -35.796
Base-Backbone interact. energy: 1.059
local terms energy: -55.585416
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -6.029
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -83.699749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.699749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.699749 (E_RNA)
where:
Base-Base interactions energy: -26.084
where: short stacking energy: -26.084
Base-Backbone interact. energy: -0.238
local terms energy: -57.378111
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -244.377300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.377300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.377300 (E_RNA)
where:
Base-Base interactions energy: -169.802
where: short stacking energy: -73.626
Base-Backbone interact. energy: 0.660
local terms energy: -75.235187
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -230.218404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.218404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.218404 (E_RNA)
where:
Base-Base interactions energy: -160.048
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.214
local terms energy: -69.956791
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -236.232057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.232057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.232057 (E_RNA)
where:
Base-Base interactions energy: -165.451
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.229
local terms energy: -70.552427
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -190.287502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.287502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.287502 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -60.589
Base-Backbone interact. energy: -0.071
local terms energy: -73.512508
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -166.955379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.955379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.955379 (E_RNA)
where:
Base-Base interactions energy: -112.141
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.035
local terms energy: -54.778671
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -160.721343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.721343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.721343 (E_RNA)
where:
Base-Base interactions energy: -100.828
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.088
local terms energy: -59.805473
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -163.212378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.212378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.212378 (E_RNA)
where:
Base-Base interactions energy: -116.045
where: short stacking energy: -43.196
Base-Backbone interact. energy: 2.126
local terms energy: -49.293515
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -7.918
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: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -99.157667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.157667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.157667 (E_RNA)
where:
Base-Base interactions energy: -49.317
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.134
local terms energy: -49.706904
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.825
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: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -131.429929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.429929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.429929 (E_RNA)
where:
Base-Base interactions energy: -73.348
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.115
local terms energy: -57.966820
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -10.079
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -87.532560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.532560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.532560 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -32.103
Base-Backbone interact. energy: 0.595
local terms energy: -54.454984
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -246.470236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.470236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.470236 (E_RNA)
where:
Base-Base interactions energy: -167.645
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.061
local terms energy: -78.764062
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -241.384504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.384504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.384504 (E_RNA)
where:
Base-Base interactions energy: -172.989
where: short stacking energy: -68.411
Base-Backbone interact. energy: -0.101
local terms energy: -68.294664
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -16.951
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: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -239.504550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.504550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.504550 (E_RNA)
where:
Base-Base interactions energy: -170.629
where: short stacking energy: -64.640
Base-Backbone interact. energy: -0.176
local terms energy: -68.699833
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -16.153
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: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -182.766774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.766774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.766774 (E_RNA)
where:
Base-Base interactions energy: -113.793
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.852
local terms energy: -68.122368
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -162.618690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.618690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.618690 (E_RNA)
where:
Base-Base interactions energy: -108.751
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.422
local terms energy: -53.445186
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -176.067573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.067573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.067573 (E_RNA)
where:
Base-Base interactions energy: -110.244
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.689
local terms energy: -65.134295
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -182.431257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.431257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.431257 (E_RNA)
where:
Base-Base interactions energy: -112.915
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.100
local terms energy: -69.416408
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -164.774215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.774215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.774215 (E_RNA)
where:
Base-Base interactions energy: -97.456
where: short stacking energy: -44.416
Base-Backbone interact. energy: -0.414
local terms energy: -66.904111
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -136.594529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.594529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.594529 (E_RNA)
where:
Base-Base interactions energy: -86.862
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.878
local terms energy: -48.854077
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -8.040
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -78.873837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.873837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.873837 (E_RNA)
where:
Base-Base interactions energy: -26.338
where: short stacking energy: -21.274
Base-Backbone interact. energy: -0.113
local terms energy: -52.422491
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -245.815612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.815612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.815612 (E_RNA)
where:
Base-Base interactions energy: -170.887
where: short stacking energy: -73.967
Base-Backbone interact. energy: -0.150
local terms energy: -74.778614
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.808
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: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -250.752910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.752910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.752910 (E_RNA)
where:
Base-Base interactions energy: -175.739
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.279
local terms energy: -74.735559
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -229.783071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.783071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.783071 (E_RNA)
where:
Base-Base interactions energy: -157.747
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.694
local terms energy: -71.341759
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -175.291915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.291915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.291915 (E_RNA)
where:
Base-Base interactions energy: -110.342
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.042
local terms energy: -64.907821
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -16.389
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: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -172.414671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.414671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.414671 (E_RNA)
where:
Base-Base interactions energy: -107.962
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.179
local terms energy: -64.273585
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -183.339526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.339526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.339526 (E_RNA)
where:
Base-Base interactions energy: -124.616
where: short stacking energy: -56.518
Base-Backbone interact. energy: -0.365
local terms energy: -58.358242
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -169.800886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.800886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.800886 (E_RNA)
where:
Base-Base interactions energy: -109.249
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.113
local terms energy: -60.439322
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -15.547
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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -143.014480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.014480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.014480 (E_RNA)
where:
Base-Base interactions energy: -81.494
where: short stacking energy: -42.299
Base-Backbone interact. energy: -0.081
local terms energy: -61.439735
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -100.730782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.730782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.730782 (E_RNA)
where:
Base-Base interactions energy: -49.111
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.092
local terms energy: -51.527926
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -79.534974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.534974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.534974 (E_RNA)
where:
Base-Base interactions energy: -32.134
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.207
local terms energy: -47.194678
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -3.524
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: 26
Temperature: 0.900000
Total energy: -251.300683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.300683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.300683 (E_RNA)
where:
Base-Base interactions energy: -174.179
where: short stacking energy: -74.709
Base-Backbone interact. energy: -1.127
local terms energy: -75.994675
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -233.387752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.387752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.387752 (E_RNA)
where:
Base-Base interactions energy: -161.514
where: short stacking energy: -71.707
Base-Backbone interact. energy: 0.329
local terms energy: -72.202875
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -18.200
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: 26
Temperature: 1.000000
Total energy: -227.533438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.533438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.533438 (E_RNA)
where:
Base-Base interactions energy: -159.929
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.636
local terms energy: -66.967836
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -177.131628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.131628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.131628 (E_RNA)
where:
Base-Base interactions energy: -105.544
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.003
local terms energy: -71.584962
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -193.735056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735056 (E_RNA)
where:
Base-Base interactions energy: -127.758
where: short stacking energy: -58.643
Base-Backbone interact. energy: -0.346
local terms energy: -65.630862
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -175.777127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.777127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.777127 (E_RNA)
where:
Base-Base interactions energy: -117.293
where: short stacking energy: -48.615
Base-Backbone interact. energy: 0.743
local terms energy: -59.227590
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -4.481
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: 26
Temperature: 1.200000
Total energy: -151.521253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.521253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.521253 (E_RNA)
where:
Base-Base interactions energy: -96.600
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.115
local terms energy: -54.807105
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -5.589
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: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -160.300790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.300790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.300790 (E_RNA)
where:
Base-Base interactions energy: -95.606
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.008
local terms energy: -64.687262
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -6.243
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)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -82.636364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636364 (E_RNA)
where:
Base-Base interactions energy: -26.723
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.066
local terms energy: -55.847138
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -1.799
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -93.289148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289148 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -33.323
Base-Backbone interact. energy: -0.043
local terms energy: -53.635786
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -253.640125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.640125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.640125 (E_RNA)
where:
Base-Base interactions energy: -175.456
where: short stacking energy: -69.359
Base-Backbone interact. energy: -1.143
local terms energy: -77.040908
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -19.189
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -239.402189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.402189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.402189 (E_RNA)
where:
Base-Base interactions energy: -166.131
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.796
local terms energy: -72.474529
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -16.440
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: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -233.384021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.384021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.384021 (E_RNA)
where:
Base-Base interactions energy: -161.627
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.197
local terms energy: -71.560758
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -13.660
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: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -200.531987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.531987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.531987 (E_RNA)
where:
Base-Base interactions energy: -132.702
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.267
local terms energy: -67.562766
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -158.208809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.208809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.208809 (E_RNA)
where:
Base-Base interactions energy: -89.683
where: short stacking energy: -48.551
Base-Backbone interact. energy: -0.067
local terms energy: -68.458524
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -149.303083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.303083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.303083 (E_RNA)
where:
Base-Base interactions energy: -80.644
where: short stacking energy: -38.406
Base-Backbone interact. energy: -1.047
local terms energy: -67.611720
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -171.872334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.872334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.872334 (E_RNA)
where:
Base-Base interactions energy: -102.848
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.850
local terms energy: -68.174456
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -157.985900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.985900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.985900 (E_RNA)
where:
Base-Base interactions energy: -99.495
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.016
local terms energy: -58.475067
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -92.504408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.504408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.504408 (E_RNA)
where:
Base-Base interactions energy: -43.537
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.344
local terms energy: -48.624089
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: 3.712
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -90.386531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386531 (E_RNA)
where:
Base-Base interactions energy: -39.549
where: short stacking energy: -24.821
Base-Backbone interact. energy: 2.805
local terms energy: -53.642778
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.350
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: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -265.465401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.465401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.465401 (E_RNA)
where:
Base-Base interactions energy: -195.308
where: short stacking energy: -75.938
Base-Backbone interact. energy: -0.078
local terms energy: -70.080125
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -242.409589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.409589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.409589 (E_RNA)
where:
Base-Base interactions energy: -166.590
where: short stacking energy: -71.838
Base-Backbone interact. energy: -0.203
local terms energy: -75.616592
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -10.179
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: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -235.175842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.175842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.175842 (E_RNA)
where:
Base-Base interactions energy: -156.968
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.672
local terms energy: -77.535101
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -19.611
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: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -208.223845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.223845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.223845 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.272
local terms energy: -72.993584
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -162.989266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.989266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.989266 (E_RNA)
where:
Base-Base interactions energy: -100.056
where: short stacking energy: -54.620
Base-Backbone interact. energy: -0.214
local terms energy: -62.718936
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -172.147344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.147344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.147344 (E_RNA)
where:
Base-Base interactions energy: -101.524
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.050
local terms energy: -70.573861
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -166.589126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.589126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.589126 (E_RNA)
where:
Base-Base interactions energy: -105.280
where: short stacking energy: -54.551
Base-Backbone interact. energy: -0.246
local terms energy: -61.063390
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -160.504736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.504736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.504736 (E_RNA)
where:
Base-Base interactions energy: -99.167
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.276
local terms energy: -61.061443
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.247
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: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -88.615437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615437 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -30.827
Base-Backbone interact. energy: 2.178
local terms energy: -56.596277
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -92.894490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.894490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.894490 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -39.609
Base-Backbone interact. energy: -0.287
local terms energy: -52.024132
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -270.978292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.978292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.978292 (E_RNA)
where:
Base-Base interactions energy: -197.875
where: short stacking energy: -77.816
Base-Backbone interact. energy: -0.212
local terms energy: -72.890837
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -241.760376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.760376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.760376 (E_RNA)
where:
Base-Base interactions energy: -167.676
where: short stacking energy: -74.561
Base-Backbone interact. energy: -0.164
local terms energy: -73.919961
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -221.889622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.889622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.889622 (E_RNA)
where:
Base-Base interactions energy: -149.807
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.609
local terms energy: -71.473232
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -226.350401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.350401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.350401 (E_RNA)
where:
Base-Base interactions energy: -154.800
where: short stacking energy: -64.300
Base-Backbone interact. energy: 0.172
local terms energy: -71.723279
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -14.276
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: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -169.028876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.028876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.028876 (E_RNA)
where:
Base-Base interactions energy: -102.421
where: short stacking energy: -49.203
Base-Backbone interact. energy: -0.134
local terms energy: -66.473028
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -190.250929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.250929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.250929 (E_RNA)
where:
Base-Base interactions energy: -117.225
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.119
local terms energy: -72.907854
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -199.510711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.510711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.510711 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -56.211
Base-Backbone interact. energy: -0.208
local terms energy: -70.662346
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -14.084
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: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -165.457715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.457715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.457715 (E_RNA)
where:
Base-Base interactions energy: -97.561
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.004
local terms energy: -67.893263
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -14.102
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: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.701069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.701069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.701069 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -35.925
Base-Backbone interact. energy: 1.403
local terms energy: -45.553086
where:
bonds (distance) C4'-P energy: -5.639
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -80.811178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.811178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.811178 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.290
local terms energy: -52.360315
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -266.424587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.424587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.424587 (E_RNA)
where:
Base-Base interactions energy: -190.492
where: short stacking energy: -82.228
Base-Backbone interact. energy: -0.004
local terms energy: -75.928528
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -9.078
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: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -243.982640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.982640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.982640 (E_RNA)
where:
Base-Base interactions energy: -168.650
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.121
local terms energy: -75.211349
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -214.968073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.968073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.968073 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.500
local terms energy: -66.158060
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -222.754260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.754260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.754260 (E_RNA)
where:
Base-Base interactions energy: -151.694
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.328
local terms energy: -70.731873
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -179.660261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.660261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.660261 (E_RNA)
where:
Base-Base interactions energy: -116.987
where: short stacking energy: -60.853
Base-Backbone interact. energy: -0.173
local terms energy: -62.500267
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -8.273
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -159.896619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.896619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.896619 (E_RNA)
where:
Base-Base interactions energy: -92.493
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.025
local terms energy: -67.378908
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -203.829636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.829636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.829636 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.265
local terms energy: -64.456082
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -13.876
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: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -165.711940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.711940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.711940 (E_RNA)
where:
Base-Base interactions energy: -108.255
where: short stacking energy: -59.561
Base-Backbone interact. energy: -1.108
local terms energy: -56.348244
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -94.580286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.580286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.580286 (E_RNA)
where:
Base-Base interactions energy: -43.803
where: short stacking energy: -40.905
Base-Backbone interact. energy: -0.044
local terms energy: -50.732534
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -87.764187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.764187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.764187 (E_RNA)
where:
Base-Base interactions energy: -42.570
where: short stacking energy: -33.800
Base-Backbone interact. energy: -0.118
local terms energy: -45.076580
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -9.053
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -266.392065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.392065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.392065 (E_RNA)
where:
Base-Base interactions energy: -187.900
where: short stacking energy: -75.108
Base-Backbone interact. energy: -0.866
local terms energy: -77.625752
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -222.032103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.032103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.032103 (E_RNA)
where:
Base-Base interactions energy: -147.865
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.286
local terms energy: -73.880844
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -242.620379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.620379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.620379 (E_RNA)
where:
Base-Base interactions energy: -167.127
where: short stacking energy: -75.411
Base-Backbone interact. energy: 0.676
local terms energy: -76.169503
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -214.982909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.982909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.982909 (E_RNA)
where:
Base-Base interactions energy: -147.566
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.161
local terms energy: -67.255639
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -176.228084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.228084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.228084 (E_RNA)
where:
Base-Base interactions energy: -107.594
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.015
local terms energy: -68.618779
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -12.305
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: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -208.003254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.003254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.003254 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -59.956
Base-Backbone interact. energy: -0.129
local terms energy: -72.040520
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -8.164
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -155.649288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.649288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.649288 (E_RNA)
where:
Base-Base interactions energy: -87.739
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.263
local terms energy: -67.647034
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -11.947
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: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -142.792343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.792343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.792343 (E_RNA)
where:
Base-Base interactions energy: -94.383
where: short stacking energy: -37.538
Base-Backbone interact. energy: -0.126
local terms energy: -48.283544
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -83.361919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361919 (E_RNA)
where:
Base-Base interactions energy: -36.671
where: short stacking energy: -32.160
Base-Backbone interact. energy: 1.116
local terms energy: -47.806705
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -83.880084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.880084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.880084 (E_RNA)
where:
Base-Base interactions energy: -30.887
where: short stacking energy: -30.887
Base-Backbone interact. energy: -0.090
local terms energy: -52.903368
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -2.176
tors. eta vs tors. theta energy: -4.367
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: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -271.479666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.479666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.479666 (E_RNA)
where:
Base-Base interactions energy: -198.093
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.007
local terms energy: -73.378878
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -209.607656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.607656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.607656 (E_RNA)
where:
Base-Base interactions energy: -137.098
where: short stacking energy: -58.716
Base-Backbone interact. energy: 0.418
local terms energy: -72.927606
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -216.899525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899525 (E_RNA)
where:
Base-Base interactions energy: -147.110
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.111
local terms energy: -69.678978
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -225.089774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.089774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.089774 (E_RNA)
where:
Base-Base interactions energy: -154.465
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.280
local terms energy: -70.345125
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -214.452067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.452067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.452067 (E_RNA)
where:
Base-Base interactions energy: -141.790
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.747
local terms energy: -71.915732
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -162.195741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.195741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.195741 (E_RNA)
where:
Base-Base interactions energy: -95.099
where: short stacking energy: -42.219
Base-Backbone interact. energy: 0.351
local terms energy: -67.448020
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -173.646460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.646460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.646460 (E_RNA)
where:
Base-Base interactions energy: -107.803
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.112
local terms energy: -65.732310
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -147.293921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.293921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.293921 (E_RNA)
where:
Base-Base interactions energy: -86.846
where: short stacking energy: -40.123
Base-Backbone interact. energy: -2.138
local terms energy: -58.309809
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -107.254461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.254461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.254461 (E_RNA)
where:
Base-Base interactions energy: -55.105
where: short stacking energy: -37.308
Base-Backbone interact. energy: 1.242
local terms energy: -53.391219
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.491912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.491912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.491912 (E_RNA)
where:
Base-Base interactions energy: -27.390
where: short stacking energy: -26.078
Base-Backbone interact. energy: -0.075
local terms energy: -53.027253
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -271.321600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.321600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.321600 (E_RNA)
where:
Base-Base interactions energy: -199.120
where: short stacking energy: -80.724
Base-Backbone interact. energy: -0.009
local terms energy: -72.192215
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -227.699456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.699456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699456 (E_RNA)
where:
Base-Base interactions energy: -148.347
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.136
local terms energy: -79.216590
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -206.681278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.681278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.681278 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -53.588
Base-Backbone interact. energy: -0.138
local terms energy: -69.465152
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -236.408122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.408122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.408122 (E_RNA)
where:
Base-Base interactions energy: -169.374
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.437
local terms energy: -66.597499
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -207.739501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739501 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.832
local terms energy: -66.970794
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -157.880894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.880894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.880894 (E_RNA)
where:
Base-Base interactions energy: -95.061
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.152
local terms energy: -62.667559
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -6.358
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)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -165.760980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.760980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.760980 (E_RNA)
where:
Base-Base interactions energy: -111.924
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.127
local terms energy: -53.709563
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -111.674723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.674723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.674723 (E_RNA)
where:
Base-Base interactions energy: -59.828
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.186
local terms energy: -51.660986
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -146.211878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.211878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.211878 (E_RNA)
where:
Base-Base interactions energy: -92.124
where: short stacking energy: -49.362
Base-Backbone interact. energy: -0.049
local terms energy: -54.039327
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -102.756022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.756022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.756022 (E_RNA)
where:
Base-Base interactions energy: -45.331
where: short stacking energy: -40.486
Base-Backbone interact. energy: 3.129
local terms energy: -60.554292
where:
bonds (distance) C4'-P energy: -7.791
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -262.711483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.711483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.711483 (E_RNA)
where:
Base-Base interactions energy: -191.523
where: short stacking energy: -65.725
Base-Backbone interact. energy: -0.028
local terms energy: -71.160841
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -19.849
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: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -221.871831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.871831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.871831 (E_RNA)
where:
Base-Base interactions energy: -145.290
where: short stacking energy: -65.919
Base-Backbone interact. energy: -0.257
local terms energy: -76.324264
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.929
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -224.515010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.515010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.515010 (E_RNA)
where:
Base-Base interactions energy: -149.706
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.151
local terms energy: -74.657666
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -210.469473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.469473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.469473 (E_RNA)
where:
Base-Base interactions energy: -141.421
where: short stacking energy: -55.825
Base-Backbone interact. energy: -0.459
local terms energy: -68.589512
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -11.745
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -207.248584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248584 (E_RNA)
where:
Base-Base interactions energy: -140.768
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.128
local terms energy: -66.352904
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -160.066614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.066614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.066614 (E_RNA)
where:
Base-Base interactions energy: -98.107
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.309
local terms energy: -61.650292
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -8.144
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: 7, replica: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -171.655097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.655097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.655097 (E_RNA)
where:
Base-Base interactions energy: -115.100
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.686
local terms energy: -55.868922
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -102.922739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.922739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.922739 (E_RNA)
where:
Base-Base interactions energy: -44.130
where: short stacking energy: -44.130
Base-Backbone interact. energy: -0.327
local terms energy: -58.465759
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -155.703224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.703224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.703224 (E_RNA)
where:
Base-Base interactions energy: -108.943
where: short stacking energy: -41.076
Base-Backbone interact. energy: 0.858
local terms energy: -47.618167
where:
bonds (distance) C4'-P energy: -6.954
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -94.957454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957454 (E_RNA)
where:
Base-Base interactions energy: -43.123
where: short stacking energy: -33.904
Base-Backbone interact. energy: 0.676
local terms energy: -52.511104
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -264.361448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.361448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.361448 (E_RNA)
where:
Base-Base interactions energy: -180.038
where: short stacking energy: -77.992
Base-Backbone interact. energy: -0.539
local terms energy: -83.783804
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -240.019553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.019553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.019553 (E_RNA)
where:
Base-Base interactions energy: -169.517
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.476
local terms energy: -70.026961
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -17.398
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: 35
Temperature: 1.000000
Total energy: -228.254383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.254383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.254383 (E_RNA)
where:
Base-Base interactions energy: -155.888
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.221
local terms energy: -72.144962
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -213.821101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.821101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.821101 (E_RNA)
where:
Base-Base interactions energy: -147.517
where: short stacking energy: -64.937
Base-Backbone interact. energy: 0.152
local terms energy: -66.455683
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -13.004
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -191.084966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.084966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.084966 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.084
local terms energy: -64.259079
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -175.556113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.556113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.556113 (E_RNA)
where:
Base-Base interactions energy: -105.758
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.042
local terms energy: -69.756308
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -164.898224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.898224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.898224 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -49.325
Base-Backbone interact. energy: -0.358
local terms energy: -55.930940
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -148.426485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.426485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.426485 (E_RNA)
where:
Base-Base interactions energy: -96.203
where: short stacking energy: -32.623
Base-Backbone interact. energy: 0.098
local terms energy: -52.320924
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -97.754315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.754315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.754315 (E_RNA)
where:
Base-Base interactions energy: -54.305
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.119
local terms energy: -43.331147
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: 0.816
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: 35
Temperature: 1.350000
Total energy: -88.463369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.463369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.463369 (E_RNA)
where:
Base-Base interactions energy: -35.290
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.030
local terms energy: -53.143751
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -243.934438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.934438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.934438 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.081
local terms energy: -69.200835
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -258.658872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.658872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.658872 (E_RNA)
where:
Base-Base interactions energy: -183.852
where: short stacking energy: -77.231
Base-Backbone interact. energy: -1.153
local terms energy: -73.653492
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -213.412624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.412624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.412624 (E_RNA)
where:
Base-Base interactions energy: -143.257
where: short stacking energy: -68.948
Base-Backbone interact. energy: -0.003
local terms energy: -70.152838
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -229.441122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.441122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.441122 (E_RNA)
where:
Base-Base interactions energy: -158.225
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.158
local terms energy: -71.057867
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -178.844222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.844222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.844222 (E_RNA)
where:
Base-Base interactions energy: -118.725
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.327
local terms energy: -59.791987
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -188.801514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.801514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.801514 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -48.091
Base-Backbone interact. energy: -1.117
local terms energy: -63.994046
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -162.648000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.648000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.648000 (E_RNA)
where:
Base-Base interactions energy: -97.959
where: short stacking energy: -52.354
Base-Backbone interact. energy: -0.218
local terms energy: -64.471363
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -143.242904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.242904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.242904 (E_RNA)
where:
Base-Base interactions energy: -83.443
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.276
local terms energy: -59.523702
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -94.374074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.374074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.374074 (E_RNA)
where:
Base-Base interactions energy: -42.359
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.374
local terms energy: -51.641376
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: 0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -84.014665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.014665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.014665 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -27.002
Base-Backbone interact. energy: -0.155
local terms energy: -50.268327
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -244.168258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.168258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.168258 (E_RNA)
where:
Base-Base interactions energy: -169.747
where: short stacking energy: -71.042
Base-Backbone interact. energy: -0.066
local terms energy: -74.355207
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -18.665
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: 37
Temperature: 0.950000
Total energy: -260.999566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.999566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.999566 (E_RNA)
where:
Base-Base interactions energy: -185.711
where: short stacking energy: -76.445
Base-Backbone interact. energy: -0.005
local terms energy: -75.282891
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -21.765
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: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -226.664418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.664418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.664418 (E_RNA)
where:
Base-Base interactions energy: -158.912
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.103
local terms energy: -67.649084
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -215.280447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.280447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.280447 (E_RNA)
where:
Base-Base interactions energy: -151.554
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.364
local terms energy: -63.363070
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -186.514177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.514177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.514177 (E_RNA)
where:
Base-Base interactions energy: -114.102
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.160
local terms energy: -72.252760
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -163.658233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.658233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.658233 (E_RNA)
where:
Base-Base interactions energy: -91.618
where: short stacking energy: -47.339
Base-Backbone interact. energy: -0.183
local terms energy: -71.857451
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -162.482919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.482919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.482919 (E_RNA)
where:
Base-Base interactions energy: -98.742
where: short stacking energy: -51.771
Base-Backbone interact. energy: -1.111
local terms energy: -62.630156
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -166.602042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.602042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.602042 (E_RNA)
where:
Base-Base interactions energy: -95.807
where: short stacking energy: -50.718
Base-Backbone interact. energy: -0.174
local terms energy: -70.620764
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -11.448
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: 37
Temperature: 1.300000
Total energy: -93.245596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.245596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.245596 (E_RNA)
where:
Base-Base interactions energy: -40.664
where: short stacking energy: -37.539
Base-Backbone interact. energy: 0.077
local terms energy: -52.658277
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -82.791687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.791687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.791687 (E_RNA)
where:
Base-Base interactions energy: -28.448
where: short stacking energy: -23.065
Base-Backbone interact. energy: -0.647
local terms energy: -53.695868
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -5.021
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: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -263.938781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.938781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.938781 (E_RNA)
where:
Base-Base interactions energy: -178.060
where: short stacking energy: -70.844
Base-Backbone interact. energy: -0.400
local terms energy: -85.478736
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -242.908474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.908474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.908474 (E_RNA)
where:
Base-Base interactions energy: -167.004
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.642
local terms energy: -75.262704
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -221.077473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.077473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.077473 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.421
local terms energy: -70.026154
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -15.412
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: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -215.449952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.449952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.449952 (E_RNA)
where:
Base-Base interactions energy: -150.158
where: short stacking energy: -59.289
Base-Backbone interact. energy: -0.163
local terms energy: -65.128264
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -8.450
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: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -199.319064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.319064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.319064 (E_RNA)
where:
Base-Base interactions energy: -125.730
where: short stacking energy: -73.500
Base-Backbone interact. energy: -0.003
local terms energy: -73.585859
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -166.305015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.305015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.305015 (E_RNA)
where:
Base-Base interactions energy: -100.450
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.363
local terms energy: -65.492078
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -161.611009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.611009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.611009 (E_RNA)
where:
Base-Base interactions energy: -106.704
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.194
local terms energy: -54.713121
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -14.664
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: 38
Temperature: 1.250000
Total energy: -171.610044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.610044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.610044 (E_RNA)
where:
Base-Base interactions energy: -125.277
where: short stacking energy: -58.392
Base-Backbone interact. energy: -1.492
local terms energy: -44.841704
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -8.650
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: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -85.704949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.704949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.704949 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -25.572
Base-Backbone interact. energy: -0.121
local terms energy: -51.106236
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -105.310670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.310670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.310670 (E_RNA)
where:
Base-Base interactions energy: -61.843
where: short stacking energy: -25.915
Base-Backbone interact. energy: -1.019
local terms energy: -42.448916
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -4.964
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -261.732894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.732894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.732894 (E_RNA)
where:
Base-Base interactions energy: -180.646
where: short stacking energy: -72.094
Base-Backbone interact. energy: -2.032
local terms energy: -79.054954
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -241.384444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.384444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.384444 (E_RNA)
where:
Base-Base interactions energy: -164.490
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.319
local terms energy: -76.575298
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -213.681318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.681318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.681318 (E_RNA)
where:
Base-Base interactions energy: -150.539
where: short stacking energy: -66.644
Base-Backbone interact. energy: -0.136
local terms energy: -63.005871
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -204.957383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.957383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.957383 (E_RNA)
where:
Base-Base interactions energy: -143.645
where: short stacking energy: -60.992
Base-Backbone interact. energy: 1.233
local terms energy: -62.545503
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -225.796076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.796076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796076 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -55.177
Base-Backbone interact. energy: -1.430
local terms energy: -67.940689
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -171.288370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.288370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.288370 (E_RNA)
where:
Base-Base interactions energy: -103.465
where: short stacking energy: -49.779
Base-Backbone interact. energy: -0.097
local terms energy: -67.727244
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -167.698106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.698106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.698106 (E_RNA)
where:
Base-Base interactions energy: -105.142
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.336
local terms energy: -62.219865
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -6.166
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: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -161.975395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.975395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.975395 (E_RNA)
where:
Base-Base interactions energy: -101.252
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.027
local terms energy: -60.696909
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -9.889
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -93.168224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.168224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.168224 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.027
local terms energy: -52.499693
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -159.638049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.638049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.638049 (E_RNA)
where:
Base-Base interactions energy: -104.583
where: short stacking energy: -44.127
Base-Backbone interact. energy: -0.042
local terms energy: -55.013431
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -270.405204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.405204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.405204 (E_RNA)
where:
Base-Base interactions energy: -183.181
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.876
local terms energy: -86.348036
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -244.753197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.753197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.753197 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -67.762
Base-Backbone interact. energy: -0.715
local terms energy: -77.840175
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -217.130438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.130438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130438 (E_RNA)
where:
Base-Base interactions energy: -147.372
where: short stacking energy: -59.246
Base-Backbone interact. energy: -0.568
local terms energy: -69.189803
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -209.778920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.778920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.778920 (E_RNA)
where:
Base-Base interactions energy: -145.729
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.331
local terms energy: -63.719414
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -12.783
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: 40
Temperature: 1.100000
Total energy: -224.284233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.284233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.284233 (E_RNA)
where:
Base-Base interactions energy: -157.001
where: short stacking energy: -51.317
Base-Backbone interact. energy: -0.493
local terms energy: -66.789958
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -181.132698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.132698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.132698 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.454
local terms energy: -61.633096
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -153.634074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.634074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.634074 (E_RNA)
where:
Base-Base interactions energy: -96.803
where: short stacking energy: -43.659
Base-Backbone interact. energy: -0.190
local terms energy: -56.640504
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -172.675608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.675608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.675608 (E_RNA)
where:
Base-Base interactions energy: -108.571
where: short stacking energy: -49.655
Base-Backbone interact. energy: -1.839
local terms energy: -62.265880
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -159.718471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.718471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.718471 (E_RNA)
where:
Base-Base interactions energy: -102.660
where: short stacking energy: -51.488
Base-Backbone interact. energy: -1.115
local terms energy: -55.942717
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -8.822
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: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -90.014880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.014880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.014880 (E_RNA)
where:
Base-Base interactions energy: -41.075
where: short stacking energy: -33.962
Base-Backbone interact. energy: -0.004
local terms energy: -48.936346
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -268.605244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.605244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.605244 (E_RNA)
where:
Base-Base interactions energy: -191.791
where: short stacking energy: -76.396
Base-Backbone interact. energy: -0.023
local terms energy: -76.791311
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -21.142
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: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -237.754567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.754567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.754567 (E_RNA)
where:
Base-Base interactions energy: -162.203
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.134
local terms energy: -75.417340
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -15.752
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: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -229.504547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.504547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.504547 (E_RNA)
where:
Base-Base interactions energy: -165.985
where: short stacking energy: -56.729
Base-Backbone interact. energy: -0.212
local terms energy: -63.307353
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -225.587253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.587253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.587253 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.585
local terms energy: -77.323812
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -12.037
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: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -198.429101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.429101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.429101 (E_RNA)
where:
Base-Base interactions energy: -132.573
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.102
local terms energy: -65.753818
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -161.387243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.387243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.387243 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.083
local terms energy: -65.281045
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -168.688579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.688579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.688579 (E_RNA)
where:
Base-Base interactions energy: -102.849
where: short stacking energy: -46.180
Base-Backbone interact. energy: -0.123
local terms energy: -65.717229
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -7.779
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: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -174.292433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.292433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.292433 (E_RNA)
where:
Base-Base interactions energy: -116.620
where: short stacking energy: -47.515
Base-Backbone interact. energy: -0.093
local terms energy: -57.579444
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -8.186
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: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -161.584279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.584279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.584279 (E_RNA)
where:
Base-Base interactions energy: -98.867
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.205
local terms energy: -62.512491
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -10.414
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: 41
Temperature: 1.350000
Total energy: -95.156711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.156711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.156711 (E_RNA)
where:
Base-Base interactions energy: -55.315
where: short stacking energy: -24.195
Base-Backbone interact. energy: -0.089
local terms energy: -39.752418
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -266.576667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.576667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.576667 (E_RNA)
where:
Base-Base interactions energy: -190.979
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.093
local terms energy: -75.503926
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -246.548297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.548297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.548297 (E_RNA)
where:
Base-Base interactions energy: -168.071
where: short stacking energy: -73.892
Base-Backbone interact. energy: 0.896
local terms energy: -79.373492
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -16.271
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: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -244.461192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.461192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.461192 (E_RNA)
where:
Base-Base interactions energy: -171.094
where: short stacking energy: -72.419
Base-Backbone interact. energy: -0.164
local terms energy: -73.203593
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -226.808827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.808827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.808827 (E_RNA)
where:
Base-Base interactions energy: -166.487
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.731
local terms energy: -59.590390
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: -11.710
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: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -197.628109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.628109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.628109 (E_RNA)
where:
Base-Base interactions energy: -131.427
where: short stacking energy: -54.755
Base-Backbone interact. energy: -0.085
local terms energy: -66.116179
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -12.694
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: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -175.216008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.216008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.216008 (E_RNA)
where:
Base-Base interactions energy: -102.974
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.353
local terms energy: -71.888907
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -166.506802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.506802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.506802 (E_RNA)
where:
Base-Base interactions energy: -103.865
where: short stacking energy: -50.409
Base-Backbone interact. energy: -0.371
local terms energy: -62.271203
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -163.630528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.630528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.630528 (E_RNA)
where:
Base-Base interactions energy: -103.246
where: short stacking energy: -49.824
Base-Backbone interact. energy: -0.000
local terms energy: -60.384047
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -14.684
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: 42
Temperature: 1.300000
Total energy: -156.583162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.583162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.583162 (E_RNA)
where:
Base-Base interactions energy: -98.660
where: short stacking energy: -53.731
Base-Backbone interact. energy: -0.240
local terms energy: -57.683472
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -89.134450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.134450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.134450 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -34.710
Base-Backbone interact. energy: -0.728
local terms energy: -51.510085
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -276.622333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.622333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.622333 (E_RNA)
where:
Base-Base interactions energy: -198.011
where: short stacking energy: -79.212
Base-Backbone interact. energy: -0.016
local terms energy: -78.595915
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -21.031
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -244.324146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.324146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.324146 (E_RNA)
where:
Base-Base interactions energy: -159.276
where: short stacking energy: -65.463
Base-Backbone interact. energy: -0.288
local terms energy: -84.760136
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -240.055708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.055708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.055708 (E_RNA)
where:
Base-Base interactions energy: -162.091
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.340
local terms energy: -77.625283
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -214.511598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.511598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.511598 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -66.809
Base-Backbone interact. energy: -0.098
local terms energy: -70.969361
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -8.647
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: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -199.895117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.895117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.895117 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -49.405
Base-Backbone interact. energy: -0.154
local terms energy: -63.332531
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -161.787657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.787657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.787657 (E_RNA)
where:
Base-Base interactions energy: -93.954
where: short stacking energy: -51.828
Base-Backbone interact. energy: 0.207
local terms energy: -68.040918
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -7.128
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: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -163.104036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.104036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.104036 (E_RNA)
where:
Base-Base interactions energy: -99.423
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.100
local terms energy: -63.581495
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -15.665
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: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -168.195498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.195498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.195498 (E_RNA)
where:
Base-Base interactions energy: -109.679
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.244
local terms energy: -58.272825
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -7.393
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: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -153.243879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.243879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.243879 (E_RNA)
where:
Base-Base interactions energy: -102.121
where: short stacking energy: -50.430
Base-Backbone interact. energy: 2.586
local terms energy: -53.709456
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -11.570
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: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.208263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.208263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.208263 (E_RNA)
where:
Base-Base interactions energy: -39.603
where: short stacking energy: -17.970
Base-Backbone interact. energy: -0.197
local terms energy: -38.408556
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: 2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -274.631819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.631819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.631819 (E_RNA)
where:
Base-Base interactions energy: -199.913
where: short stacking energy: -79.055
Base-Backbone interact. energy: -0.416
local terms energy: -74.302822
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -22.593
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -238.522401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.522401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.522401 (E_RNA)
where:
Base-Base interactions energy: -164.680
where: short stacking energy: -67.887
Base-Backbone interact. energy: -0.192
local terms energy: -73.650513
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -241.930306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.930306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.930306 (E_RNA)
where:
Base-Base interactions energy: -166.784
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.181
local terms energy: -74.965328
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -201.176729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.176729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.176729 (E_RNA)
where:
Base-Base interactions energy: -132.724
where: short stacking energy: -60.990
Base-Backbone interact. energy: -0.119
local terms energy: -68.334067
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -180.533396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.533396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.533396 (E_RNA)
where:
Base-Base interactions energy: -105.055
where: short stacking energy: -52.298
Base-Backbone interact. energy: -0.679
local terms energy: -74.798655
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -161.801423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.801423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.801423 (E_RNA)
where:
Base-Base interactions energy: -107.570
where: short stacking energy: -42.944
Base-Backbone interact. energy: -0.338
local terms energy: -53.893570
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -8.920
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: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -165.701255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.701255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.701255 (E_RNA)
where:
Base-Base interactions energy: -106.603
where: short stacking energy: -47.837
Base-Backbone interact. energy: -0.024
local terms energy: -59.073948
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -156.804057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.804057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.804057 (E_RNA)
where:
Base-Base interactions energy: -95.768
where: short stacking energy: -45.092
Base-Backbone interact. energy: -0.158
local terms energy: -60.877207
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -172.938015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938015 (E_RNA)
where:
Base-Base interactions energy: -100.700
where: short stacking energy: -51.868
Base-Backbone interact. energy: -1.644
local terms energy: -70.593596
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -100.305222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.305222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.305222 (E_RNA)
where:
Base-Base interactions energy: -48.146
where: short stacking energy: -37.324
Base-Backbone interact. energy: 0.667
local terms energy: -52.826768
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -5.497
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: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -269.440154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.440154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.440154 (E_RNA)
where:
Base-Base interactions energy: -197.745
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.043
local terms energy: -71.652199
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -247.330290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.330290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.330290 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.868
local terms energy: -76.345050
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -233.737312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.737312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.737312 (E_RNA)
where:
Base-Base interactions energy: -164.281
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.110
local terms energy: -69.346393
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -17.908
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -181.913160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.913160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.913160 (E_RNA)
where:
Base-Base interactions energy: -119.098
where: short stacking energy: -52.001
Base-Backbone interact. energy: 0.337
local terms energy: -63.151622
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -210.518068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.518068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.518068 (E_RNA)
where:
Base-Base interactions energy: -145.821
where: short stacking energy: -72.363
Base-Backbone interact. energy: -0.100
local terms energy: -64.596746
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -193.397356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.397356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.397356 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -49.971
Base-Backbone interact. energy: 0.716
local terms energy: -57.035437
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -11.028
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: 45
Temperature: 1.200000
Total energy: -138.781876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.781876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.781876 (E_RNA)
where:
Base-Base interactions energy: -79.874
where: short stacking energy: -41.776
Base-Backbone interact. energy: -0.389
local terms energy: -58.518907
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -151.662915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.662915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.662915 (E_RNA)
where:
Base-Base interactions energy: -93.666
where: short stacking energy: -44.791
Base-Backbone interact. energy: -0.571
local terms energy: -57.425862
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -163.232517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.232517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.232517 (E_RNA)
where:
Base-Base interactions energy: -98.494
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.455
local terms energy: -64.283052
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.829847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.829847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.829847 (E_RNA)
where:
Base-Base interactions energy: -43.701
where: short stacking energy: -39.500
Base-Backbone interact. energy: 5.194
local terms energy: -48.323143
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -5.770
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: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -270.321712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.321712 (E_RNA)
where:
Base-Base interactions energy: -191.211
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.716
local terms energy: -78.394855
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -249.913033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.913033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.913033 (E_RNA)
where:
Base-Base interactions energy: -180.544
where: short stacking energy: -76.084
Base-Backbone interact. energy: 0.601
local terms energy: -69.970319
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -17.971
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: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -241.368880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.368880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.368880 (E_RNA)
where:
Base-Base interactions energy: -172.007
where: short stacking energy: -67.067
Base-Backbone interact. energy: -0.154
local terms energy: -69.207465
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -194.671436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.671436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.671436 (E_RNA)
where:
Base-Base interactions energy: -129.718
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.082
local terms energy: -64.871461
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -196.533702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.533702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.533702 (E_RNA)
where:
Base-Base interactions energy: -132.203
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.150
local terms energy: -64.180245
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -204.861834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.861834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.861834 (E_RNA)
where:
Base-Base interactions energy: -134.713
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.315
local terms energy: -69.833423
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -166.873417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.873417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.873417 (E_RNA)
where:
Base-Base interactions energy: -100.873
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.035
local terms energy: -65.965412
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -127.815344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.815344 (E_RNA)
where:
Base-Base interactions energy: -68.805
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.074
local terms energy: -58.936258
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -158.322844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.322844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.322844 (E_RNA)
where:
Base-Base interactions energy: -96.775
where: short stacking energy: -54.186
Base-Backbone interact. energy: -0.085
local terms energy: -61.463246
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -89.730914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.730914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.730914 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.061
local terms energy: -49.215434
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: 1.825
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: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -278.445444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.445444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.445444 (E_RNA)
where:
Base-Base interactions energy: -200.984
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.582
local terms energy: -76.878730
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -19.668
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -238.565550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.565550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.565550 (E_RNA)
where:
Base-Base interactions energy: -165.888
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.179
local terms energy: -72.498339
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -16.919
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: 47
Temperature: 1.000000
Total energy: -230.376831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.376831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.376831 (E_RNA)
where:
Base-Base interactions energy: -159.240
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.245
local terms energy: -70.891980
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -193.750431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.750431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.750431 (E_RNA)
where:
Base-Base interactions energy: -128.230
where: short stacking energy: -65.622
Base-Backbone interact. energy: -0.409
local terms energy: -65.111398
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -185.538075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.538075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.538075 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -53.822
Base-Backbone interact. energy: -0.029
local terms energy: -62.889450
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -12.050
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: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -192.726871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.726871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.726871 (E_RNA)
where:
Base-Base interactions energy: -134.039
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.406
local terms energy: -58.281914
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -167.389326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.389326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.389326 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.127
local terms energy: -58.700128
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -146.602349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.602349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.602349 (E_RNA)
where:
Base-Base interactions energy: -92.306
where: short stacking energy: -43.965
Base-Backbone interact. energy: -0.967
local terms energy: -53.329285
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -148.030872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.030872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.030872 (E_RNA)
where:
Base-Base interactions energy: -88.455
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.224
local terms energy: -59.352434
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -10.323
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -86.068131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.068131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.068131 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.458
local terms energy: -52.791669
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -272.355937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.355937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.355937 (E_RNA)
where:
Base-Base interactions energy: -201.235
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.111
local terms energy: -71.009595
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -244.846484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.846484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.846484 (E_RNA)
where:
Base-Base interactions energy: -176.385
where: short stacking energy: -75.977
Base-Backbone interact. energy: -0.352
local terms energy: -68.109491
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -15.603
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: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -234.837067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.837067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.837067 (E_RNA)
where:
Base-Base interactions energy: -155.985
where: short stacking energy: -68.921
Base-Backbone interact. energy: 0.139
local terms energy: -78.991815
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -213.301246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.301246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.301246 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.099
local terms energy: -72.420784
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -16.891
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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -179.276925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.276925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.276925 (E_RNA)
where:
Base-Base interactions energy: -116.628
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.847
local terms energy: -61.801693
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -204.667787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.667787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.667787 (E_RNA)
where:
Base-Base interactions energy: -132.836
where: short stacking energy: -61.612
Base-Backbone interact. energy: -0.347
local terms energy: -71.484697
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -200.665317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.665317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.665317 (E_RNA)
where:
Base-Base interactions energy: -135.768
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.068
local terms energy: -64.828945
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -147.110689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.110689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.110689 (E_RNA)
where:
Base-Base interactions energy: -94.241
where: short stacking energy: -38.633
Base-Backbone interact. energy: -0.144
local terms energy: -52.725474
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -1.037
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -152.650360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.650360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.650360 (E_RNA)
where:
Base-Base interactions energy: -87.744
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.282
local terms energy: -64.624178
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -10.159
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -80.767006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767006 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -28.528
Base-Backbone interact. energy: -0.089
local terms energy: -50.380584
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -266.186995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.186995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.186995 (E_RNA)
where:
Base-Base interactions energy: -194.786
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.315
local terms energy: -71.086240
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -19.765
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: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -234.183914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.183914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.183914 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.121
local terms energy: -75.234106
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -230.626862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.626862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.626862 (E_RNA)
where:
Base-Base interactions energy: -161.426
where: short stacking energy: -65.399
Base-Backbone interact. energy: 0.519
local terms energy: -69.719875
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -222.491077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.491077 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.177
local terms energy: -72.419836
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -184.703954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.703954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.703954 (E_RNA)
where:
Base-Base interactions energy: -117.565
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.102
local terms energy: -67.036596
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -196.975570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.975570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.975570 (E_RNA)
where:
Base-Base interactions energy: -130.866
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.269
local terms energy: -65.841050
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -156.941512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.941512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.941512 (E_RNA)
where:
Base-Base interactions energy: -102.440
where: short stacking energy: -41.659
Base-Backbone interact. energy: -0.104
local terms energy: -54.397015
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -166.506422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.506422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.506422 (E_RNA)
where:
Base-Base interactions energy: -107.451
where: short stacking energy: -54.647
Base-Backbone interact. energy: 0.003
local terms energy: -59.058572
where:
bonds (distance) C4'-P energy: -7.567
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -146.780814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.780814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.780814 (E_RNA)
where:
Base-Base interactions energy: -83.168
where: short stacking energy: -37.983
Base-Backbone interact. energy: -1.646
local terms energy: -61.965912
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -138.868142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.868142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.868142 (E_RNA)
where:
Base-Base interactions energy: -83.880
where: short stacking energy: -33.378
Base-Backbone interact. energy: 3.075
local terms energy: -58.063013
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -264.955308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.955308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.955308 (E_RNA)
where:
Base-Base interactions energy: -193.146
where: short stacking energy: -79.721
Base-Backbone interact. energy: 0.153
local terms energy: -71.963059
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -19.234
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: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -231.466601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.466601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.466601 (E_RNA)
where:
Base-Base interactions energy: -158.970
where: short stacking energy: -66.570
Base-Backbone interact. energy: -1.974
local terms energy: -70.522052
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -14.504
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -225.916631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.916631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.916631 (E_RNA)
where:
Base-Base interactions energy: -150.522
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.117
local terms energy: -75.277010
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -236.958055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.958055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.958055 (E_RNA)
where:
Base-Base interactions energy: -172.916
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.210
local terms energy: -63.831581
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -209.953829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.953829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.953829 (E_RNA)
where:
Base-Base interactions energy: -136.555
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.274
local terms energy: -73.124967
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -16.270
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: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -173.467759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.467759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.467759 (E_RNA)
where:
Base-Base interactions energy: -103.462
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.199
local terms energy: -69.807244
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -168.203572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.203572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.203572 (E_RNA)
where:
Base-Base interactions energy: -104.453
where: short stacking energy: -45.579
Base-Backbone interact. energy: -0.347
local terms energy: -63.404176
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -155.032836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.032836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.032836 (E_RNA)
where:
Base-Base interactions energy: -98.387
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.150
local terms energy: -56.495659
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -158.826701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.826701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.826701 (E_RNA)
where:
Base-Base interactions energy: -89.377
where: short stacking energy: -45.677
Base-Backbone interact. energy: 0.201
local terms energy: -69.651069
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -108.261670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.261670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.261670 (E_RNA)
where:
Base-Base interactions energy: -62.137
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.225
local terms energy: -45.899637
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -275.917236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.917236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.917236 (E_RNA)
where:
Base-Base interactions energy: -203.454
where: short stacking energy: -80.950
Base-Backbone interact. energy: -0.014
local terms energy: -72.449758
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -20.530
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: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -235.109887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.109887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.109887 (E_RNA)
where:
Base-Base interactions energy: -155.847
where: short stacking energy: -78.457
Base-Backbone interact. energy: -0.846
local terms energy: -78.417357
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -230.983392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.983392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983392 (E_RNA)
where:
Base-Base interactions energy: -158.417
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.786
local terms energy: -71.779809
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -252.677580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.677580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.677580 (E_RNA)
where:
Base-Base interactions energy: -193.102
where: short stacking energy: -73.282
Base-Backbone interact. energy: -0.109
local terms energy: -59.466202
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -201.207071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.207071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.207071 (E_RNA)
where:
Base-Base interactions energy: -129.638
where: short stacking energy: -55.312
Base-Backbone interact. energy: -0.161
local terms energy: -71.407923
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -177.309555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.309555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.309555 (E_RNA)
where:
Base-Base interactions energy: -114.889
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.016
local terms energy: -62.404026
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -171.085363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.085363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.085363 (E_RNA)
where:
Base-Base interactions energy: -109.332
where: short stacking energy: -60.257
Base-Backbone interact. energy: -0.372
local terms energy: -61.381292
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -10.316
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: 51
Temperature: 1.250000
Total energy: -150.549805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.549805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.549805 (E_RNA)
where:
Base-Base interactions energy: -101.699
where: short stacking energy: -47.505
Base-Backbone interact. energy: 0.754
local terms energy: -49.604728
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -6.059
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -145.130981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.130981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.130981 (E_RNA)
where:
Base-Base interactions energy: -84.342
where: short stacking energy: -38.255
Base-Backbone interact. energy: -0.538
local terms energy: -60.250096
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -82.857029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857029 (E_RNA)
where:
Base-Base interactions energy: -22.736
where: short stacking energy: -22.736
Base-Backbone interact. energy: -0.052
local terms energy: -60.069087
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: 1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -265.782362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.782362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.782362 (E_RNA)
where:
Base-Base interactions energy: -182.111
where: short stacking energy: -78.230
Base-Backbone interact. energy: -0.052
local terms energy: -83.619456
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -22.593
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: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -230.756445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.756445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.756445 (E_RNA)
where:
Base-Base interactions energy: -156.489
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.719
local terms energy: -73.548997
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -259.779726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.779726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.779726 (E_RNA)
where:
Base-Base interactions energy: -185.494
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.180
local terms energy: -74.106109
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -20.923
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: 52
Temperature: 1.050000
Total energy: -235.557424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.557424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.557424 (E_RNA)
where:
Base-Base interactions energy: -169.516
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.833
local terms energy: -65.207546
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -18.324
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -201.040193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.040193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.040193 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.914
local terms energy: -60.550894
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -167.064721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.064721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.064721 (E_RNA)
where:
Base-Base interactions energy: -98.912
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.063
local terms energy: -68.089717
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -165.810998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.810998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.810998 (E_RNA)
where:
Base-Base interactions energy: -96.788
where: short stacking energy: -49.949
Base-Backbone interact. energy: -0.029
local terms energy: -68.994236
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -173.266026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.266026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.266026 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -42.790
Base-Backbone interact. energy: -0.286
local terms energy: -56.915925
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -160.184882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.184882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.184882 (E_RNA)
where:
Base-Base interactions energy: -104.405
where: short stacking energy: -38.884
Base-Backbone interact. energy: -0.614
local terms energy: -55.166205
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -104.880056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.880056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.880056 (E_RNA)
where:
Base-Base interactions energy: -49.564
where: short stacking energy: -21.599
Base-Backbone interact. energy: -0.165
local terms energy: -55.150396
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: 2.604
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: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -265.588776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.588776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.588776 (E_RNA)
where:
Base-Base interactions energy: -178.759
where: short stacking energy: -75.124
Base-Backbone interact. energy: -1.294
local terms energy: -85.535158
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -267.169337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.169337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.169337 (E_RNA)
where:
Base-Base interactions energy: -192.730
where: short stacking energy: -78.055
Base-Backbone interact. energy: -0.169
local terms energy: -74.270334
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -234.336466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.336466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.336466 (E_RNA)
where:
Base-Base interactions energy: -159.606
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.207
local terms energy: -74.523857
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -232.783644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.783644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.783644 (E_RNA)
where:
Base-Base interactions energy: -159.641
where: short stacking energy: -65.767
Base-Backbone interact. energy: 0.689
local terms energy: -73.831407
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -20.004
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: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -207.689771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.689771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.689771 (E_RNA)
where:
Base-Base interactions energy: -138.493
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.000
local terms energy: -69.196955
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -171.195217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.195217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.195217 (E_RNA)
where:
Base-Base interactions energy: -107.424
where: short stacking energy: -43.956
Base-Backbone interact. energy: -1.825
local terms energy: -61.945539
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -159.550160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.550160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.550160 (E_RNA)
where:
Base-Base interactions energy: -90.813
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.149
local terms energy: -68.588608
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -156.651441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.651441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.651441 (E_RNA)
where:
Base-Base interactions energy: -88.105
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.038
local terms energy: -68.508589
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -152.218008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.218008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.218008 (E_RNA)
where:
Base-Base interactions energy: -88.847
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.809
local terms energy: -62.561287
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -110.904645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.904645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.904645 (E_RNA)
where:
Base-Base interactions energy: -56.162
where: short stacking energy: -30.070
Base-Backbone interact. energy: 0.027
local terms energy: -54.769985
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -270.306434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.306434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.306434 (E_RNA)
where:
Base-Base interactions energy: -184.201
where: short stacking energy: -81.448
Base-Backbone interact. energy: -2.335
local terms energy: -83.770514
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -259.177050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.177050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.177050 (E_RNA)
where:
Base-Base interactions energy: -187.215
where: short stacking energy: -75.805
Base-Backbone interact. energy: -0.056
local terms energy: -71.906214
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -238.495961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.495961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.495961 (E_RNA)
where:
Base-Base interactions energy: -167.507
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.269
local terms energy: -70.719804
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -6.044
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -225.749139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.749139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.749139 (E_RNA)
where:
Base-Base interactions energy: -157.310
where: short stacking energy: -61.420
Base-Backbone interact. energy: 1.599
local terms energy: -70.038301
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -168.466235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.466235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.466235 (E_RNA)
where:
Base-Base interactions energy: -109.055
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.078
local terms energy: -59.333582
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -204.849152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.849152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.849152 (E_RNA)
where:
Base-Base interactions energy: -138.800
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.028
local terms energy: -66.020639
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -154.907544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.907544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.907544 (E_RNA)
where:
Base-Base interactions energy: -107.678
where: short stacking energy: -44.170
Base-Backbone interact. energy: -0.244
local terms energy: -46.985773
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -0.822
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: 54
Temperature: 1.250000
Total energy: -160.163664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.163664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.163664 (E_RNA)
where:
Base-Base interactions energy: -102.558
where: short stacking energy: -43.245
Base-Backbone interact. energy: -0.230
local terms energy: -57.375653
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -3.674
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: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -158.184999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.184999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.184999 (E_RNA)
where:
Base-Base interactions energy: -100.145
where: short stacking energy: -49.551
Base-Backbone interact. energy: -0.374
local terms energy: -57.665469
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -11.414
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: 54
Temperature: 1.350000
Total energy: -85.609428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.609428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.609428 (E_RNA)
where:
Base-Base interactions energy: -30.946
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.105
local terms energy: -54.558376
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -6.921
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: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -267.237555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.237555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.237555 (E_RNA)
where:
Base-Base interactions energy: -188.343
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.362
local terms energy: -78.532165
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -247.835990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.835990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.835990 (E_RNA)
where:
Base-Base interactions energy: -172.108
where: short stacking energy: -73.414
Base-Backbone interact. energy: -0.170
local terms energy: -75.557827
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -259.099478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.099478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.099478 (E_RNA)
where:
Base-Base interactions energy: -182.965
where: short stacking energy: -75.467
Base-Backbone interact. energy: -0.059
local terms energy: -76.075435
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -20.033
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: 55
Temperature: 1.050000
Total energy: -231.370204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.370204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.370204 (E_RNA)
where:
Base-Base interactions energy: -155.112
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.263
local terms energy: -75.995713
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -177.566606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.566606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.566606 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.051
local terms energy: -66.070844
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -195.420289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.420289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.420289 (E_RNA)
where:
Base-Base interactions energy: -132.772
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.034
local terms energy: -62.614154
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -157.203999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.203999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.203999 (E_RNA)
where:
Base-Base interactions energy: -98.011
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.123
local terms energy: -59.070589
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -6.066
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: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -182.640030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.640030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.640030 (E_RNA)
where:
Base-Base interactions energy: -108.326
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.094
local terms energy: -74.219841
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -147.554972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.554972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.554972 (E_RNA)
where:
Base-Base interactions energy: -92.056
where: short stacking energy: -41.823
Base-Backbone interact. energy: 0.544
local terms energy: -56.042581
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -2.104
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: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -85.929689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.929689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.929689 (E_RNA)
where:
Base-Base interactions energy: -30.596
where: short stacking energy: -30.596
Base-Backbone interact. energy: 0.263
local terms energy: -55.597418
where:
bonds (distance) C4'-P energy: -5.804
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -266.802010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.802010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.802010 (E_RNA)
where:
Base-Base interactions energy: -183.029
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.270
local terms energy: -83.503673
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -245.210590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.210590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.210590 (E_RNA)
where:
Base-Base interactions energy: -165.998
where: short stacking energy: -69.201
Base-Backbone interact. energy: -0.702
local terms energy: -78.510247
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -259.999435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.999435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.999435 (E_RNA)
where:
Base-Base interactions energy: -182.060
where: short stacking energy: -65.384
Base-Backbone interact. energy: 0.301
local terms energy: -78.240691
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -18.734
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: 56
Temperature: 1.050000
Total energy: -218.729957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729957 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -60.244
Base-Backbone interact. energy: -0.411
local terms energy: -72.708167
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -14.184
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: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -208.530799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.530799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.530799 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.074
local terms energy: -68.869238
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -12.807
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: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -165.859021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.859021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.859021 (E_RNA)
where:
Base-Base interactions energy: -103.990
where: short stacking energy: -47.020
Base-Backbone interact. energy: -0.126
local terms energy: -61.742537
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -171.384025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.384025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.384025 (E_RNA)
where:
Base-Base interactions energy: -113.199
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.425
local terms energy: -57.759966
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -170.637192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.637192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.637192 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.020
local terms energy: -56.196325
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -145.194509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.194509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.194509 (E_RNA)
where:
Base-Base interactions energy: -88.539
where: short stacking energy: -47.882
Base-Backbone interact. energy: 0.324
local terms energy: -56.979571
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -8.887
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: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -83.813143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813143 (E_RNA)
where:
Base-Base interactions energy: -28.045
where: short stacking energy: -23.151
Base-Backbone interact. energy: -0.870
local terms energy: -54.898659
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -7.603
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -261.781035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.781035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.781035 (E_RNA)
where:
Base-Base interactions energy: -182.029
where: short stacking energy: -75.061
Base-Backbone interact. energy: -0.874
local terms energy: -78.878192
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -256.418763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.418763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.418763 (E_RNA)
where:
Base-Base interactions energy: -178.989
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.124
local terms energy: -77.306533
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -243.360885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.360885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360885 (E_RNA)
where:
Base-Base interactions energy: -168.449
where: short stacking energy: -66.948
Base-Backbone interact. energy: -0.563
local terms energy: -74.349194
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -211.761420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.761420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.761420 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.161
local terms energy: -66.586240
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -211.578027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.578027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.578027 (E_RNA)
where:
Base-Base interactions energy: -140.450
where: short stacking energy: -55.216
Base-Backbone interact. energy: -1.476
local terms energy: -69.652063
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -171.248788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.248788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.248788 (E_RNA)
where:
Base-Base interactions energy: -102.103
where: short stacking energy: -62.526
Base-Backbone interact. energy: 0.496
local terms energy: -69.641825
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -13.683
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: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -154.988157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.988157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.988157 (E_RNA)
where:
Base-Base interactions energy: -93.231
where: short stacking energy: -48.331
Base-Backbone interact. energy: -0.119
local terms energy: -61.637948
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -12.572
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -157.014824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.014824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.014824 (E_RNA)
where:
Base-Base interactions energy: -91.857
where: short stacking energy: -45.495
Base-Backbone interact. energy: -0.123
local terms energy: -65.034931
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -7.857
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: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -164.082619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.082619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.082619 (E_RNA)
where:
Base-Base interactions energy: -104.078
where: short stacking energy: -53.433
Base-Backbone interact. energy: -0.015
local terms energy: -59.989614
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -11.093
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: 57
Temperature: 1.350000
Total energy: -82.881813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.881813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.881813 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.191
local terms energy: -50.243545
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -263.884027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.884027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.884027 (E_RNA)
where:
Base-Base interactions energy: -182.897
where: short stacking energy: -68.582
Base-Backbone interact. energy: -0.053
local terms energy: -80.933212
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -269.482542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.482542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.482542 (E_RNA)
where:
Base-Base interactions energy: -194.079
where: short stacking energy: -76.518
Base-Backbone interact. energy: 0.225
local terms energy: -75.628334
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -22.292
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: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -234.854434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.854434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.854434 (E_RNA)
where:
Base-Base interactions energy: -161.030
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.626
local terms energy: -73.197938
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -211.818466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.818466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.818466 (E_RNA)
where:
Base-Base interactions energy: -144.475
where: short stacking energy: -53.023
Base-Backbone interact. energy: -2.004
local terms energy: -65.339281
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -220.778911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.778911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.778911 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.439
local terms energy: -71.425109
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -13.710
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: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -157.000548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.000548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.000548 (E_RNA)
where:
Base-Base interactions energy: -103.901
where: short stacking energy: -42.565
Base-Backbone interact. energy: -0.281
local terms energy: -52.818734
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -166.021756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.021756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.021756 (E_RNA)
where:
Base-Base interactions energy: -100.840
where: short stacking energy: -56.662
Base-Backbone interact. energy: -0.028
local terms energy: -65.153177
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -159.441504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.441504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.441504 (E_RNA)
where:
Base-Base interactions energy: -99.796
where: short stacking energy: -48.679
Base-Backbone interact. energy: -0.151
local terms energy: -59.494875
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -8.546
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: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -155.928601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.928601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.928601 (E_RNA)
where:
Base-Base interactions energy: -104.395
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.046
local terms energy: -51.487417
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -90.329337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.329337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.329337 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -23.776
Base-Backbone interact. energy: 0.539
local terms energy: -54.376408
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -265.153458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.153458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.153458 (E_RNA)
where:
Base-Base interactions energy: -182.714
where: short stacking energy: -74.351
Base-Backbone interact. energy: -1.194
local terms energy: -81.245727
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -267.914965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.914965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.914965 (E_RNA)
where:
Base-Base interactions energy: -192.029
where: short stacking energy: -76.791
Base-Backbone interact. energy: -0.007
local terms energy: -75.878561
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -9.689
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: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -238.932547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.932547 (E_RNA)
where:
Base-Base interactions energy: -168.542
where: short stacking energy: -70.294
Base-Backbone interact. energy: -0.198
local terms energy: -70.192211
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -237.561091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.561091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.561091 (E_RNA)
where:
Base-Base interactions energy: -163.402
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.191
local terms energy: -73.968185
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -206.034783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.034783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.034783 (E_RNA)
where:
Base-Base interactions energy: -140.246
where: short stacking energy: -65.693
Base-Backbone interact. energy: -0.741
local terms energy: -65.047982
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -16.554
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: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -162.817293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.817293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.817293 (E_RNA)
where:
Base-Base interactions energy: -98.498
where: short stacking energy: -54.286
Base-Backbone interact. energy: 0.229
local terms energy: -64.548688
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -159.825706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.825706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.825706 (E_RNA)
where:
Base-Base interactions energy: -94.290
where: short stacking energy: -49.864
Base-Backbone interact. energy: -1.253
local terms energy: -64.282339
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -8.694
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: 59
Temperature: 1.250000
Total energy: -166.669138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.669138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.669138 (E_RNA)
where:
Base-Base interactions energy: -103.025
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.022
local terms energy: -63.621750
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -154.914231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.914231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.914231 (E_RNA)
where:
Base-Base interactions energy: -93.111
where: short stacking energy: -39.138
Base-Backbone interact. energy: -0.160
local terms energy: -61.643291
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -9.671
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: 59
Temperature: 1.350000
Total energy: -88.331074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.331074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.331074 (E_RNA)
where:
Base-Base interactions energy: -43.335
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.885
local terms energy: -44.110765
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -269.824206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.824206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.824206 (E_RNA)
where:
Base-Base interactions energy: -187.266
where: short stacking energy: -74.389
Base-Backbone interact. energy: -0.004
local terms energy: -82.554371
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -256.181526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.181526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.181526 (E_RNA)
where:
Base-Base interactions energy: -176.874
where: short stacking energy: -70.317
Base-Backbone interact. energy: -1.620
local terms energy: -77.686542
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -236.457016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.457016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.457016 (E_RNA)
where:
Base-Base interactions energy: -169.665
where: short stacking energy: -70.853
Base-Backbone interact. energy: -1.344
local terms energy: -65.448657
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -232.301455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.301455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.301455 (E_RNA)
where:
Base-Base interactions energy: -166.761
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.622
local terms energy: -64.919209
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -200.840637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.840637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.840637 (E_RNA)
where:
Base-Base interactions energy: -133.981
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.350
local terms energy: -66.509622
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.728
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: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -158.288140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.288140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.288140 (E_RNA)
where:
Base-Base interactions energy: -100.359
where: short stacking energy: -48.770
Base-Backbone interact. energy: -0.060
local terms energy: -57.868955
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -167.213521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.213521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.213521 (E_RNA)
where:
Base-Base interactions energy: -98.212
where: short stacking energy: -48.046
Base-Backbone interact. energy: -0.012
local terms energy: -68.989774
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -152.947004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.947004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.947004 (E_RNA)
where:
Base-Base interactions energy: -100.979
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.390
local terms energy: -51.577486
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -10.303
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: 60
Temperature: 1.300000
Total energy: -152.951351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951351 (E_RNA)
where:
Base-Base interactions energy: -91.350
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.108
local terms energy: -61.493138
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -13.230
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: 60
Temperature: 1.350000
Total energy: -83.420785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.420785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.420785 (E_RNA)
where:
Base-Base interactions energy: -34.380
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.197
local terms energy: -48.843606
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -267.874455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.874455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.874455 (E_RNA)
where:
Base-Base interactions energy: -198.269
where: short stacking energy: -76.820
Base-Backbone interact. energy: -0.132
local terms energy: -69.474144
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -235.646870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.646870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.646870 (E_RNA)
where:
Base-Base interactions energy: -154.014
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.185
local terms energy: -81.447926
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -254.955542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.955542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.955542 (E_RNA)
where:
Base-Base interactions energy: -184.555
where: short stacking energy: -71.391
Base-Backbone interact. energy: -0.730
local terms energy: -69.670145
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -201.155340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.155340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.155340 (E_RNA)
where:
Base-Base interactions energy: -135.974
where: short stacking energy: -59.718
Base-Backbone interact. energy: -0.104
local terms energy: -65.077074
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -209.105153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.105153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.105153 (E_RNA)
where:
Base-Base interactions energy: -148.770
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.176
local terms energy: -60.158888
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -11.553
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: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -166.333410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.333410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.333410 (E_RNA)
where:
Base-Base interactions energy: -109.707
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.391
local terms energy: -56.235823
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -3.633
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: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -168.036891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.036891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.036891 (E_RNA)
where:
Base-Base interactions energy: -110.301
where: short stacking energy: -49.712
Base-Backbone interact. energy: -0.008
local terms energy: -57.726954
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -160.020370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.020370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.020370 (E_RNA)
where:
Base-Base interactions energy: -100.557
where: short stacking energy: -52.759
Base-Backbone interact. energy: -0.427
local terms energy: -59.037126
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -162.217299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.217299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.217299 (E_RNA)
where:
Base-Base interactions energy: -103.774
where: short stacking energy: -57.095
Base-Backbone interact. energy: -0.107
local terms energy: -58.335529
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -156.658841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.658841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.658841 (E_RNA)
where:
Base-Base interactions energy: -104.415
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.154
local terms energy: -52.089851
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -5.229
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -266.228625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.228625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.228625 (E_RNA)
where:
Base-Base interactions energy: -192.220
where: short stacking energy: -74.721
Base-Backbone interact. energy: -0.109
local terms energy: -73.900053
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -229.105512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105512 (E_RNA)
where:
Base-Base interactions energy: -166.548
where: short stacking energy: -51.611
Base-Backbone interact. energy: -0.448
local terms energy: -62.110196
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -249.993172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.993172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.993172 (E_RNA)
where:
Base-Base interactions energy: -172.313
where: short stacking energy: -65.904
Base-Backbone interact. energy: -0.613
local terms energy: -77.067248
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -18.245
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: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -201.521137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.521137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.521137 (E_RNA)
where:
Base-Base interactions energy: -133.393
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.129
local terms energy: -67.999792
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -216.529765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.529765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.529765 (E_RNA)
where:
Base-Base interactions energy: -143.676
where: short stacking energy: -53.970
Base-Backbone interact. energy: 0.292
local terms energy: -73.145454
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -163.168111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.168111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.168111 (E_RNA)
where:
Base-Base interactions energy: -102.310
where: short stacking energy: -53.868
Base-Backbone interact. energy: 0.139
local terms energy: -60.996830
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -148.970443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.970443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.970443 (E_RNA)
where:
Base-Base interactions energy: -85.397
where: short stacking energy: -43.926
Base-Backbone interact. energy: -0.246
local terms energy: -63.327924
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -163.527941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.527941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.527941 (E_RNA)
where:
Base-Base interactions energy: -95.735
where: short stacking energy: -45.809
Base-Backbone interact. energy: -0.144
local terms energy: -67.648665
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -12.531
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: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -142.710577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.710577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.710577 (E_RNA)
where:
Base-Base interactions energy: -88.590
where: short stacking energy: -45.061
Base-Backbone interact. energy: 0.224
local terms energy: -54.345566
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -145.396321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.396321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.396321 (E_RNA)
where:
Base-Base interactions energy: -84.633
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.149
local terms energy: -60.614637
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -265.916388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.916388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.916388 (E_RNA)
where:
Base-Base interactions energy: -187.702
where: short stacking energy: -76.064
Base-Backbone interact. energy: -0.501
local terms energy: -77.712990
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -19.038
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -252.039509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.039509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.039509 (E_RNA)
where:
Base-Base interactions energy: -173.903
where: short stacking energy: -65.797
Base-Backbone interact. energy: -1.657
local terms energy: -76.479249
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -224.959796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.959796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.959796 (E_RNA)
where:
Base-Base interactions energy: -154.784
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.226
local terms energy: -69.949334
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -221.687518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.687518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.687518 (E_RNA)
where:
Base-Base interactions energy: -149.287
where: short stacking energy: -62.244
Base-Backbone interact. energy: -1.114
local terms energy: -71.287137
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -12.011
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: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -201.744732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.744732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.744732 (E_RNA)
where:
Base-Base interactions energy: -134.100
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.935
local terms energy: -66.709837
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -10.132
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: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -180.058065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.058065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.058065 (E_RNA)
where:
Base-Base interactions energy: -112.908
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.129
local terms energy: -67.021113
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -165.673602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.673602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.673602 (E_RNA)
where:
Base-Base interactions energy: -97.986
where: short stacking energy: -38.858
Base-Backbone interact. energy: -0.824
local terms energy: -66.863137
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -10.887
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: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -145.331435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.331435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.331435 (E_RNA)
where:
Base-Base interactions energy: -88.584
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.202
local terms energy: -56.545475
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -161.870266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.870266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.870266 (E_RNA)
where:
Base-Base interactions energy: -95.611
where: short stacking energy: -48.718
Base-Backbone interact. energy: -0.099
local terms energy: -66.159548
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -86.248724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248724 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.196
local terms energy: -40.578350
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -7.217
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -262.418776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.418776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.418776 (E_RNA)
where:
Base-Base interactions energy: -191.851
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.471
local terms energy: -70.096864
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -17.530
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -256.937362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.937362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.937362 (E_RNA)
where:
Base-Base interactions energy: -188.830
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.442
local terms energy: -67.665710
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -242.562556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.562556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.562556 (E_RNA)
where:
Base-Base interactions energy: -166.358
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.185
local terms energy: -76.019421
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -223.205530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.205530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.205530 (E_RNA)
where:
Base-Base interactions energy: -150.046
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.666
local terms energy: -72.493224
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -200.244715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.244715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.244715 (E_RNA)
where:
Base-Base interactions energy: -138.038
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.255
local terms energy: -61.951410
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -8.037
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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -160.499596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.499596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.499596 (E_RNA)
where:
Base-Base interactions energy: -97.916
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.205
local terms energy: -62.378546
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -173.622555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.622555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.622555 (E_RNA)
where:
Base-Base interactions energy: -101.237
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.165
local terms energy: -72.220027
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -13.700
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: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -158.398048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.398048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.398048 (E_RNA)
where:
Base-Base interactions energy: -95.635
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.008
local terms energy: -62.755314
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -150.036637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.036637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.036637 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.329
local terms energy: -55.821217
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -81.423425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423425 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -30.761
Base-Backbone interact. energy: -0.167
local terms energy: -47.947981
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -260.333757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.333757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.333757 (E_RNA)
where:
Base-Base interactions energy: -180.072
where: short stacking energy: -73.044
Base-Backbone interact. energy: -0.008
local terms energy: -80.253795
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -263.141445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.141445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.141445 (E_RNA)
where:
Base-Base interactions energy: -184.918
where: short stacking energy: -75.943
Base-Backbone interact. energy: -1.093
local terms energy: -77.129990
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -227.833743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.833743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833743 (E_RNA)
where:
Base-Base interactions energy: -152.349
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.151
local terms energy: -75.333341
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -16.021
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: 65
Temperature: 1.050000
Total energy: -215.880929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.880929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.880929 (E_RNA)
where:
Base-Base interactions energy: -145.529
where: short stacking energy: -54.375
Base-Backbone interact. energy: -2.266
local terms energy: -68.086206
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -10.365
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: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -200.886306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.886306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.886306 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.392
local terms energy: -69.647330
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -162.305891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.305891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.305891 (E_RNA)
where:
Base-Base interactions energy: -96.989
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.149
local terms energy: -65.167332
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -175.680133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.680133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.680133 (E_RNA)
where:
Base-Base interactions energy: -109.881
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.008
local terms energy: -65.791640
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -153.762353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.762353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.762353 (E_RNA)
where:
Base-Base interactions energy: -96.877
where: short stacking energy: -46.491
Base-Backbone interact. energy: -0.329
local terms energy: -56.556383
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -90.247458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.247458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.247458 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -21.112
Base-Backbone interact. energy: -0.213
local terms energy: -53.991076
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -85.993369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993369 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -24.614
Base-Backbone interact. energy: -0.337
local terms energy: -47.854751
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -268.222758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.222758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.222758 (E_RNA)
where:
Base-Base interactions energy: -194.652
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.175
local terms energy: -73.396612
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -22.217
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: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -265.415784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.415784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.415784 (E_RNA)
where:
Base-Base interactions energy: -184.769
where: short stacking energy: -81.100
Base-Backbone interact. energy: -0.638
local terms energy: -80.008718
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -20.253
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: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -240.439186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.439186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.439186 (E_RNA)
where:
Base-Base interactions energy: -160.510
where: short stacking energy: -60.941
Base-Backbone interact. energy: -1.623
local terms energy: -78.306460
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -13.586
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: 66
Temperature: 1.050000
Total energy: -205.889519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.889519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.889519 (E_RNA)
where:
Base-Base interactions energy: -140.748
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.422
local terms energy: -64.719978
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -10.414
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -187.807936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.807936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.807936 (E_RNA)
where:
Base-Base interactions energy: -117.477
where: short stacking energy: -57.297
Base-Backbone interact. energy: -0.068
local terms energy: -70.262913
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -202.724753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.724753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.724753 (E_RNA)
where:
Base-Base interactions energy: -138.330
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.023
local terms energy: -64.371934
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -9.014
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -180.303066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.303066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.303066 (E_RNA)
where:
Base-Base interactions energy: -117.408
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.022
local terms energy: -62.873298
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -11.865
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: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -161.024357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.024357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.024357 (E_RNA)
where:
Base-Base interactions energy: -105.046
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.486
local terms energy: -55.492201
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -89.258794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.258794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.258794 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -25.217
Base-Backbone interact. energy: -0.105
local terms energy: -47.812927
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: 0.027
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: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -90.405644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.405644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.405644 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -39.979
Base-Backbone interact. energy: -0.186
local terms energy: -50.240538
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -270.667253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.667253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.667253 (E_RNA)
where:
Base-Base interactions energy: -184.079
where: short stacking energy: -77.598
Base-Backbone interact. energy: -1.207
local terms energy: -85.381323
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -22.664
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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -248.945646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.945646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.945646 (E_RNA)
where:
Base-Base interactions energy: -177.461
where: short stacking energy: -71.199
Base-Backbone interact. energy: -0.385
local terms energy: -71.100001
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -226.818779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.818779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.818779 (E_RNA)
where:
Base-Base interactions energy: -154.831
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.328
local terms energy: -71.659514
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -185.698474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.698474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.698474 (E_RNA)
where:
Base-Base interactions energy: -111.858
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.001
local terms energy: -73.839887
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -200.894765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.894765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.894765 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -48.492
Base-Backbone interact. energy: 0.026
local terms energy: -66.177679
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -162.043394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.043394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.043394 (E_RNA)
where:
Base-Base interactions energy: -102.463
where: short stacking energy: -56.728
Base-Backbone interact. energy: -0.224
local terms energy: -59.356176
where:
bonds (distance) C4'-P energy: -4.989
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -198.601232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.601232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.601232 (E_RNA)
where:
Base-Base interactions energy: -135.005
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.564
local terms energy: -63.031906
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -9.400
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: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -155.745436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.745436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.745436 (E_RNA)
where:
Base-Base interactions energy: -93.624
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.151
local terms energy: -61.969834
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -102.387637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.387637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.387637 (E_RNA)
where:
Base-Base interactions energy: -48.179
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.044
local terms energy: -54.164567
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -77.148640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.148640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.148640 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.175
local terms energy: -49.298869
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: 1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -254.440998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.440998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.440998 (E_RNA)
where:
Base-Base interactions energy: -173.683
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.264
local terms energy: -80.493843
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -20.922
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: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -261.737013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.737013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.737013 (E_RNA)
where:
Base-Base interactions energy: -181.975
where: short stacking energy: -76.882
Base-Backbone interact. energy: 1.818
local terms energy: -81.579710
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -20.630
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: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -179.992420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992420 (E_RNA)
where:
Base-Base interactions energy: -113.157
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.415
local terms energy: -66.420678
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.979
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: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -226.563985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.563985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.563985 (E_RNA)
where:
Base-Base interactions energy: -153.946
where: short stacking energy: -64.057
Base-Backbone interact. energy: -0.188
local terms energy: -72.430084
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -185.539313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.539313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.539313 (E_RNA)
where:
Base-Base interactions energy: -116.781
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.071
local terms energy: -68.687565
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -214.343186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.343186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.343186 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -62.276
Base-Backbone interact. energy: -0.439
local terms energy: -61.899432
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -16.199
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -191.793377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793377 (E_RNA)
where:
Base-Base interactions energy: -129.371
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.344
local terms energy: -62.078507
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -12.780
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -153.168111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.168111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.168111 (E_RNA)
where:
Base-Base interactions energy: -98.498
where: short stacking energy: -45.319
Base-Backbone interact. energy: 1.427
local terms energy: -56.097673
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -82.737746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.737746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.737746 (E_RNA)
where:
Base-Base interactions energy: -30.404
where: short stacking energy: -30.404
Base-Backbone interact. energy: -0.025
local terms energy: -52.308964
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -92.782558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.782558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.782558 (E_RNA)
where:
Base-Base interactions energy: -51.219
where: short stacking energy: -39.470
Base-Backbone interact. energy: -0.050
local terms energy: -41.513111
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -255.586412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.586412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.586412 (E_RNA)
where:
Base-Base interactions energy: -175.869
where: short stacking energy: -78.474
Base-Backbone interact. energy: -0.003
local terms energy: -79.714341
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -262.874120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.874120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.874120 (E_RNA)
where:
Base-Base interactions energy: -184.026
where: short stacking energy: -76.651
Base-Backbone interact. energy: -0.143
local terms energy: -78.704814
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -20.168
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: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -185.396313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.396313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.396313 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.503
local terms energy: -67.902552
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -218.892213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.892213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.892213 (E_RNA)
where:
Base-Base interactions energy: -146.494
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.201
local terms energy: -72.197303
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -187.143056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.143056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.143056 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -52.063
Base-Backbone interact. energy: -0.102
local terms energy: -70.775757
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -13.153
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: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -182.080152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.080152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.080152 (E_RNA)
where:
Base-Base interactions energy: -130.718
where: short stacking energy: -46.647
Base-Backbone interact. energy: -0.368
local terms energy: -50.994542
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -5.284
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -213.252653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.252653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252653 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.707
local terms energy: -71.503958
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -158.734727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.734727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.734727 (E_RNA)
where:
Base-Base interactions energy: -96.693
where: short stacking energy: -51.180
Base-Backbone interact. energy: -0.006
local terms energy: -62.035557
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -11.169
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: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -85.254219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.254219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.254219 (E_RNA)
where:
Base-Base interactions energy: -35.240
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.292
local terms energy: -49.721948
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: 2.413
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: 69
Temperature: 1.350000
Total energy: -94.684335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.684335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.684335 (E_RNA)
where:
Base-Base interactions energy: -42.955
where: short stacking energy: -42.955
Base-Backbone interact. energy: -0.057
local terms energy: -51.672465
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -263.284998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.284998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.284998 (E_RNA)
where:
Base-Base interactions energy: -186.000
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.002
local terms energy: -77.283721
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -246.137229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.137229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.137229 (E_RNA)
where:
Base-Base interactions energy: -176.401
where: short stacking energy: -74.306
Base-Backbone interact. energy: -0.016
local terms energy: -69.719761
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -15.394
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -230.930036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930036 (E_RNA)
where:
Base-Base interactions energy: -154.440
where: short stacking energy: -66.235
Base-Backbone interact. energy: -0.844
local terms energy: -75.645584
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -20.527
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: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -186.128773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.128773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.128773 (E_RNA)
where:
Base-Base interactions energy: -115.062
where: short stacking energy: -51.779
Base-Backbone interact. energy: -1.376
local terms energy: -69.691130
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -9.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -196.119763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.119763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.119763 (E_RNA)
where:
Base-Base interactions energy: -128.330
where: short stacking energy: -53.854
Base-Backbone interact. energy: -0.209
local terms energy: -67.580719
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -180.697413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.697413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.697413 (E_RNA)
where:
Base-Base interactions energy: -109.400
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.165
local terms energy: -71.132978
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -192.912950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.912950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.912950 (E_RNA)
where:
Base-Base interactions energy: -127.249
where: short stacking energy: -52.994
Base-Backbone interact. energy: -0.656
local terms energy: -65.007677
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -12.567
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: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -151.405006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.405006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.405006 (E_RNA)
where:
Base-Base interactions energy: -99.681
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.196
local terms energy: -51.528142
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -96.270300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.270300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.270300 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -40.646
Base-Backbone interact. energy: -0.143
local terms energy: -55.481920
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -84.492978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.492978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.492978 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.039
local terms energy: -52.658422
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -0.830
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: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -271.956797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.956797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.956797 (E_RNA)
where:
Base-Base interactions energy: -185.206
where: short stacking energy: -70.839
Base-Backbone interact. energy: -1.337
local terms energy: -85.413538
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -271.689267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.689267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.689267 (E_RNA)
where:
Base-Base interactions energy: -183.638
where: short stacking energy: -74.755
Base-Backbone interact. energy: -1.937
local terms energy: -86.114013
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -24.273
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: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -227.948934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.948934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.948934 (E_RNA)
where:
Base-Base interactions energy: -154.801
where: short stacking energy: -68.489
Base-Backbone interact. energy: -0.315
local terms energy: -72.833809
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -209.775962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.775962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.775962 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.027
local terms energy: -68.963882
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -17.284
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: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -187.207918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.207918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.207918 (E_RNA)
where:
Base-Base interactions energy: -115.826
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.234
local terms energy: -71.148330
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -11.158
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: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -205.193708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.193708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.193708 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -52.554
Base-Backbone interact. energy: -2.554
local terms energy: -66.150393
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -166.438499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.438499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.438499 (E_RNA)
where:
Base-Base interactions energy: -104.028
where: short stacking energy: -56.759
Base-Backbone interact. energy: -0.098
local terms energy: -62.312862
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -104.099702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.099702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.099702 (E_RNA)
where:
Base-Base interactions energy: -56.532
where: short stacking energy: -38.231
Base-Backbone interact. energy: -0.316
local terms energy: -47.252309
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -144.917610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.917610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.917610 (E_RNA)
where:
Base-Base interactions energy: -87.633
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.097
local terms energy: -57.187992
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -84.949925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.949925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.949925 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.100
local terms energy: -48.873963
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -266.334778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.334778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.334778 (E_RNA)
where:
Base-Base interactions energy: -185.395
where: short stacking energy: -77.881
Base-Backbone interact. energy: -0.008
local terms energy: -80.931685
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -262.951335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.951335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.951335 (E_RNA)
where:
Base-Base interactions energy: -188.043
where: short stacking energy: -77.569
Base-Backbone interact. energy: -0.069
local terms energy: -74.839622
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -215.880186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.880186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.880186 (E_RNA)
where:
Base-Base interactions energy: -147.599
where: short stacking energy: -61.738
Base-Backbone interact. energy: 0.184
local terms energy: -68.465146
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -13.174
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: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -227.198862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.198862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.198862 (E_RNA)
where:
Base-Base interactions energy: -153.692
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.861
local terms energy: -72.645525
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -210.650389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.650389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.650389 (E_RNA)
where:
Base-Base interactions energy: -151.018
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.831
local terms energy: -58.800534
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -175.385932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.385932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.385932 (E_RNA)
where:
Base-Base interactions energy: -111.545
where: short stacking energy: -61.464
Base-Backbone interact. energy: -0.319
local terms energy: -63.522140
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -15.961
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: 72
Temperature: 1.200000
Total energy: -166.706990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.706990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.706990 (E_RNA)
where:
Base-Base interactions energy: -101.603
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.088
local terms energy: -65.015598
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -11.977
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -128.357690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.357690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.357690 (E_RNA)
where:
Base-Base interactions energy: -83.280
where: short stacking energy: -36.754
Base-Backbone interact. energy: -0.149
local terms energy: -44.928035
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -1.342
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -149.764841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.764841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.764841 (E_RNA)
where:
Base-Base interactions energy: -96.161
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.157
local terms energy: -53.446287
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -89.225669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.225669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.225669 (E_RNA)
where:
Base-Base interactions energy: -37.282
where: short stacking energy: -35.082
Base-Backbone interact. energy: 0.723
local terms energy: -52.666622
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -7.782
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -268.684266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.684266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.684266 (E_RNA)
where:
Base-Base interactions energy: -186.356
where: short stacking energy: -78.251
Base-Backbone interact. energy: -0.069
local terms energy: -82.259215
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -269.229682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.229682 (E_RNA)
where:
Base-Base interactions energy: -195.477
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.302
local terms energy: -73.451244
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -5.442
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: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -228.370946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.370946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.370946 (E_RNA)
where:
Base-Base interactions energy: -154.511
where: short stacking energy: -56.011
Base-Backbone interact. energy: -0.458
local terms energy: -73.401947
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -15.815
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: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -241.334697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.334697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.334697 (E_RNA)
where:
Base-Base interactions energy: -164.917
where: short stacking energy: -69.713
Base-Backbone interact. energy: -0.169
local terms energy: -76.247873
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -18.955
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: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -227.604911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.604911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.604911 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -71.226
Base-Backbone interact. energy: -0.492
local terms energy: -71.257473
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -164.644359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644359 (E_RNA)
where:
Base-Base interactions energy: -102.038
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.134
local terms energy: -62.472477
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -12.878
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: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -163.678086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.678086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.678086 (E_RNA)
where:
Base-Base interactions energy: -91.796
where: short stacking energy: -46.117
Base-Backbone interact. energy: -0.098
local terms energy: -71.784546
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -159.911814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.911814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.911814 (E_RNA)
where:
Base-Base interactions energy: -108.206
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.043
local terms energy: -51.663422
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -12.343
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: 73
Temperature: 1.300000
Total energy: -93.190664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190664 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -33.486
Base-Backbone interact. energy: -0.146
local terms energy: -52.270097
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: 0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -84.870895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.870895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.870895 (E_RNA)
where:
Base-Base interactions energy: -35.821
where: short stacking energy: -35.821
Base-Backbone interact. energy: 0.180
local terms energy: -49.229913
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -8.325
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: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -265.096393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.096393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.096393 (E_RNA)
where:
Base-Base interactions energy: -189.416
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.358
local terms energy: -75.323107
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -19.560
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: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -261.521845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.521845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.521845 (E_RNA)
where:
Base-Base interactions energy: -182.599
where: short stacking energy: -75.976
Base-Backbone interact. energy: -0.344
local terms energy: -78.578534
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -233.963102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.963102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.963102 (E_RNA)
where:
Base-Base interactions energy: -166.466
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.171
local terms energy: -67.325976
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -16.943
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -215.575377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.575377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.575377 (E_RNA)
where:
Base-Base interactions energy: -142.192
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.501
local terms energy: -72.882022
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -220.463705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.463705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.463705 (E_RNA)
where:
Base-Base interactions energy: -148.882
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.098
local terms energy: -71.483895
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -186.365752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.365752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.365752 (E_RNA)
where:
Base-Base interactions energy: -113.670
where: short stacking energy: -64.077
Base-Backbone interact. energy: -0.749
local terms energy: -71.946441
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -154.496033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.496033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.496033 (E_RNA)
where:
Base-Base interactions energy: -100.032
where: short stacking energy: -46.042
Base-Backbone interact. energy: -0.665
local terms energy: -53.799406
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -7.994
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: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -144.044745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.044745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.044745 (E_RNA)
where:
Base-Base interactions energy: -87.082
where: short stacking energy: -49.071
Base-Backbone interact. energy: -1.046
local terms energy: -55.917052
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -87.361833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361833 (E_RNA)
where:
Base-Base interactions energy: -29.999
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.285
local terms energy: -57.078108
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -79.796221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796221 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -23.462
Base-Backbone interact. energy: 2.421
local terms energy: -54.575643
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -257.419621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.419621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.419621 (E_RNA)
where:
Base-Base interactions energy: -184.937
where: short stacking energy: -67.480
Base-Backbone interact. energy: -1.191
local terms energy: -71.291548
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -235.285270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.285270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.285270 (E_RNA)
where:
Base-Base interactions energy: -156.769
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.141
local terms energy: -78.375305
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -12.758
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: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -255.110324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.110324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.110324 (E_RNA)
where:
Base-Base interactions energy: -180.722
where: short stacking energy: -76.297
Base-Backbone interact. energy: -0.530
local terms energy: -73.858754
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -226.175627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.175627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.175627 (E_RNA)
where:
Base-Base interactions energy: -148.653
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.587
local terms energy: -76.935253
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -17.415
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: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -218.471823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.471823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.471823 (E_RNA)
where:
Base-Base interactions energy: -154.600
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.018
local terms energy: -63.854037
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -13.045
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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -175.411749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.411749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.411749 (E_RNA)
where:
Base-Base interactions energy: -107.451
where: short stacking energy: -55.332
Base-Backbone interact. energy: 0.655
local terms energy: -68.616269
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -14.067
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -175.116720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.116720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.116720 (E_RNA)
where:
Base-Base interactions energy: -107.769
where: short stacking energy: -49.853
Base-Backbone interact. energy: -0.082
local terms energy: -67.265680
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -13.958
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -114.850380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.850380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.850380 (E_RNA)
where:
Base-Base interactions energy: -66.366
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.105
local terms energy: -48.379026
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -3.375
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: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -98.202117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.202117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.202117 (E_RNA)
where:
Base-Base interactions energy: -47.815
where: short stacking energy: -36.682
Base-Backbone interact. energy: -0.249
local terms energy: -50.138697
where:
bonds (distance) C4'-P energy: -7.916
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -85.179228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179228 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.091
local terms energy: -46.375792
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -2.134
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -245.414253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.414253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.414253 (E_RNA)
where:
Base-Base interactions energy: -171.676
where: short stacking energy: -73.878
Base-Backbone interact. energy: -0.119
local terms energy: -73.619376
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -259.737664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.737664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.737664 (E_RNA)
where:
Base-Base interactions energy: -183.405
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.076
local terms energy: -76.256827
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -260.846856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.846856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.846856 (E_RNA)
where:
Base-Base interactions energy: -183.690
where: short stacking energy: -74.269
Base-Backbone interact. energy: -0.327
local terms energy: -76.830374
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -233.739427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.739427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.739427 (E_RNA)
where:
Base-Base interactions energy: -158.326
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.086
local terms energy: -75.327615
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -230.770309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.770309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.770309 (E_RNA)
where:
Base-Base interactions energy: -158.570
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.180
local terms energy: -72.020502
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -15.950
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: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -158.944745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.944745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.944745 (E_RNA)
where:
Base-Base interactions energy: -91.944
where: short stacking energy: -43.042
Base-Backbone interact. energy: 0.257
local terms energy: -67.256972
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -170.200040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.200040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.200040 (E_RNA)
where:
Base-Base interactions energy: -119.067
where: short stacking energy: -55.170
Base-Backbone interact. energy: 0.058
local terms energy: -51.191484
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -7.620
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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -96.087685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.087685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.087685 (E_RNA)
where:
Base-Base interactions energy: -43.148
where: short stacking energy: -33.708
Base-Backbone interact. energy: 0.947
local terms energy: -53.887284
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -85.164615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.164615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.164615 (E_RNA)
where:
Base-Base interactions energy: -41.793
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.180
local terms energy: -43.191122
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -3.470
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -84.214566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214566 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -19.290
Base-Backbone interact. energy: -0.194
local terms energy: -51.538520
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -245.457391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.457391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.457391 (E_RNA)
where:
Base-Base interactions energy: -170.954
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.285
local terms energy: -74.218330
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -261.808338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.808338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.808338 (E_RNA)
where:
Base-Base interactions energy: -182.408
where: short stacking energy: -68.901
Base-Backbone interact. energy: -1.045
local terms energy: -78.355012
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -255.435186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.435186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.435186 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -64.673
Base-Backbone interact. energy: -0.411
local terms energy: -77.362293
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -17.232
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: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -229.442535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.442535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.442535 (E_RNA)
where:
Base-Base interactions energy: -157.197
where: short stacking energy: -66.175
Base-Backbone interact. energy: -1.201
local terms energy: -71.044516
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -214.630730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.630730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630730 (E_RNA)
where:
Base-Base interactions energy: -143.641
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.127
local terms energy: -70.862795
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -168.065112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.065112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.065112 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.076
local terms energy: -65.189522
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -174.283603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.283603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.283603 (E_RNA)
where:
Base-Base interactions energy: -115.001
where: short stacking energy: -60.670
Base-Backbone interact. energy: 2.074
local terms energy: -61.356574
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -107.089828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.089828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.089828 (E_RNA)
where:
Base-Base interactions energy: -44.631
where: short stacking energy: -44.631
Base-Backbone interact. energy: -0.062
local terms energy: -62.396743
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -81.105692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.105692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.105692 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -17.786
Base-Backbone interact. energy: -0.133
local terms energy: -54.230227
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -77.496719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.496719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.496719 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.109
local terms energy: -44.035422
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -272.448304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.448304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.448304 (E_RNA)
where:
Base-Base interactions energy: -188.829
where: short stacking energy: -78.917
Base-Backbone interact. energy: -1.116
local terms energy: -82.502929
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -236.535165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535165 (E_RNA)
where:
Base-Base interactions energy: -165.681
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.161
local terms energy: -70.693093
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -257.983245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.983245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.983245 (E_RNA)
where:
Base-Base interactions energy: -180.039
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.921
local terms energy: -77.022760
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -234.523806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.523806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.523806 (E_RNA)
where:
Base-Base interactions energy: -159.623
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.305
local terms energy: -74.595827
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -18.705
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -228.641939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.641939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.641939 (E_RNA)
where:
Base-Base interactions energy: -156.857
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.321
local terms energy: -71.463551
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -15.378
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: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -166.806063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.806063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.806063 (E_RNA)
where:
Base-Base interactions energy: -98.884
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.094
local terms energy: -67.827389
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -12.319
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: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -172.204076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.204076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.204076 (E_RNA)
where:
Base-Base interactions energy: -109.309
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.605
local terms energy: -62.289641
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -8.649
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: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -92.716113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.716113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.716113 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.094
local terms energy: -53.930385
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -7.041
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: 78
Temperature: 1.300000
Total energy: -85.954172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.954172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.954172 (E_RNA)
where:
Base-Base interactions energy: -29.347
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.664
local terms energy: -55.943672
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -140.262254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.262254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.262254 (E_RNA)
where:
Base-Base interactions energy: -88.354
where: short stacking energy: -46.252
Base-Backbone interact. energy: -0.205
local terms energy: -51.703301
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -9.631
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -266.213339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.213339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.213339 (E_RNA)
where:
Base-Base interactions energy: -182.541
where: short stacking energy: -74.553
Base-Backbone interact. energy: -1.889
local terms energy: -81.783317
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -21.891
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: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -266.996910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.996910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.996910 (E_RNA)
where:
Base-Base interactions energy: -183.200
where: short stacking energy: -74.681
Base-Backbone interact. energy: -0.240
local terms energy: -83.556332
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -230.490515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.490515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.490515 (E_RNA)
where:
Base-Base interactions energy: -155.434
where: short stacking energy: -67.326
Base-Backbone interact. energy: -0.193
local terms energy: -74.863150
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -222.209143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.209143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.209143 (E_RNA)
where:
Base-Base interactions energy: -145.910
where: short stacking energy: -55.204
Base-Backbone interact. energy: -0.303
local terms energy: -75.995509
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -217.082459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.082459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.082459 (E_RNA)
where:
Base-Base interactions energy: -157.555
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.068
local terms energy: -59.459507
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -0.020
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -171.550607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.550607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.550607 (E_RNA)
where:
Base-Base interactions energy: -109.806
where: short stacking energy: -57.015
Base-Backbone interact. energy: 0.130
local terms energy: -61.874947
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -174.874701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.874701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.874701 (E_RNA)
where:
Base-Base interactions energy: -108.781
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.002
local terms energy: -66.092107
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -12.286
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: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.283625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.283625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.283625 (E_RNA)
where:
Base-Base interactions energy: -44.653
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.183
local terms energy: -54.447492
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -101.411618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.411618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.411618 (E_RNA)
where:
Base-Base interactions energy: -50.511
where: short stacking energy: -36.484
Base-Backbone interact. energy: -0.057
local terms energy: -50.844234
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -8.874
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: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -130.761117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.761117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.761117 (E_RNA)
where:
Base-Base interactions energy: -78.340
where: short stacking energy: -37.514
Base-Backbone interact. energy: 0.141
local terms energy: -52.562237
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -266.599637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.599637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.599637 (E_RNA)
where:
Base-Base interactions energy: -188.847
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.283
local terms energy: -77.469199
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -269.152899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.152899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.152899 (E_RNA)
where:
Base-Base interactions energy: -186.318
where: short stacking energy: -76.482
Base-Backbone interact. energy: -0.519
local terms energy: -82.315970
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -21.197
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: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -223.800711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800711 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -66.609
Base-Backbone interact. energy: 0.039
local terms energy: -72.041511
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.793
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: 4, replica: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -226.656546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.656546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.656546 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.263
local terms energy: -75.245126
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -13.749
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: 80
Temperature: 1.100000
Total energy: -213.689330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.689330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.689330 (E_RNA)
where:
Base-Base interactions energy: -150.097
where: short stacking energy: -61.576
Base-Backbone interact. energy: -1.180
local terms energy: -62.412969
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -165.576969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.576969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.576969 (E_RNA)
where:
Base-Base interactions energy: -103.285
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.023
local terms energy: -62.269387
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -166.641383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.641383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.641383 (E_RNA)
where:
Base-Base interactions energy: -111.980
where: short stacking energy: -48.698
Base-Backbone interact. energy: -0.081
local terms energy: -54.580454
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -99.249077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.249077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.249077 (E_RNA)
where:
Base-Base interactions energy: -41.128
where: short stacking energy: -39.965
Base-Backbone interact. energy: -0.013
local terms energy: -58.108507
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -147.973145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.973145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.973145 (E_RNA)
where:
Base-Base interactions energy: -93.296
where: short stacking energy: -42.859
Base-Backbone interact. energy: -0.325
local terms energy: -54.351685
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -6.712
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: 80
Temperature: 1.350000
Total energy: -98.073029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.073029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.073029 (E_RNA)
where:
Base-Base interactions energy: -52.413
where: short stacking energy: -31.650
Base-Backbone interact. energy: -0.143
local terms energy: -45.517148
where:
bonds (distance) C4'-P energy: -6.178
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -266.542944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.542944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.542944 (E_RNA)
where:
Base-Base interactions energy: -183.701
where: short stacking energy: -81.690
Base-Backbone interact. energy: -1.571
local terms energy: -81.271479
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -23.508
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: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -259.382335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.382335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.382335 (E_RNA)
where:
Base-Base interactions energy: -184.550
where: short stacking energy: -75.896
Base-Backbone interact. energy: -1.336
local terms energy: -73.495788
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -232.726650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.726650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.726650 (E_RNA)
where:
Base-Base interactions energy: -153.676
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.686
local terms energy: -78.363903
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -15.513
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: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -223.437156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.437156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.437156 (E_RNA)
where:
Base-Base interactions energy: -152.791
where: short stacking energy: -58.817
Base-Backbone interact. energy: -0.338
local terms energy: -70.308472
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -11.733
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: 81
Temperature: 1.100000
Total energy: -217.282762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.282762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.282762 (E_RNA)
where:
Base-Base interactions energy: -150.101
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.142
local terms energy: -67.039311
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -12.313
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: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -174.782462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.782462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.782462 (E_RNA)
where:
Base-Base interactions energy: -111.375
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.194
local terms energy: -63.213742
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -159.731459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.731459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.731459 (E_RNA)
where:
Base-Base interactions energy: -93.725
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.346
local terms energy: -65.660884
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -147.870898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.870898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.870898 (E_RNA)
where:
Base-Base interactions energy: -89.642
where: short stacking energy: -43.585
Base-Backbone interact. energy: -0.080
local terms energy: -58.149193
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -101.539610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.539610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.539610 (E_RNA)
where:
Base-Base interactions energy: -50.558
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.325
local terms energy: -50.657346
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -92.202303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.202303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.202303 (E_RNA)
where:
Base-Base interactions energy: -42.808
where: short stacking energy: -38.837
Base-Backbone interact. energy: -0.195
local terms energy: -49.199697
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -271.522964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.522964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.522964 (E_RNA)
where:
Base-Base interactions energy: -184.707
where: short stacking energy: -78.144
Base-Backbone interact. energy: 0.826
local terms energy: -87.641805
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -267.568587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.568587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.568587 (E_RNA)
where:
Base-Base interactions energy: -180.860
where: short stacking energy: -73.945
Base-Backbone interact. energy: -1.922
local terms energy: -84.786869
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -24.728
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: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -228.460650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.460650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.460650 (E_RNA)
where:
Base-Base interactions energy: -153.890
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.695
local terms energy: -73.875998
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -233.909136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.909136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.909136 (E_RNA)
where:
Base-Base interactions energy: -161.578
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.184
local terms energy: -72.146736
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -231.719102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.719102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.719102 (E_RNA)
where:
Base-Base interactions energy: -160.880
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.596
local terms energy: -70.243309
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -162.514882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.514882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.514882 (E_RNA)
where:
Base-Base interactions energy: -100.007
where: short stacking energy: -56.945
Base-Backbone interact. energy: 0.374
local terms energy: -62.882390
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -160.530529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.530529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.530529 (E_RNA)
where:
Base-Base interactions energy: -105.801
where: short stacking energy: -50.156
Base-Backbone interact. energy: -0.170
local terms energy: -54.559449
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -155.023938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.023938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.023938 (E_RNA)
where:
Base-Base interactions energy: -96.591
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.340
local terms energy: -58.093085
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -6.332
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: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -103.718638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.718638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.718638 (E_RNA)
where:
Base-Base interactions energy: -39.169
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.088
local terms energy: -64.461560
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.553
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: 82
Temperature: 1.350000
Total energy: -84.413046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413046 (E_RNA)
where:
Base-Base interactions energy: -38.511
where: short stacking energy: -21.197
Base-Backbone interact. energy: -0.431
local terms energy: -45.471198
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -270.039663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.039663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.039663 (E_RNA)
where:
Base-Base interactions energy: -186.495
where: short stacking energy: -74.815
Base-Backbone interact. energy: 1.021
local terms energy: -84.565519
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -22.234
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: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -260.483060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.483060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.483060 (E_RNA)
where:
Base-Base interactions energy: -180.731
where: short stacking energy: -75.494
Base-Backbone interact. energy: -1.304
local terms energy: -78.447401
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -234.427755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.427755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.427755 (E_RNA)
where:
Base-Base interactions energy: -159.428
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.407
local terms energy: -74.592681
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -16.181
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: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -219.050207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.050207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.050207 (E_RNA)
where:
Base-Base interactions energy: -154.034
where: short stacking energy: -64.888
Base-Backbone interact. energy: -0.893
local terms energy: -64.123268
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -214.591185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.591185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.591185 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.274
local terms energy: -65.088639
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -18.485
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: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -180.667248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.667248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.667248 (E_RNA)
where:
Base-Base interactions energy: -107.583
where: short stacking energy: -51.582
Base-Backbone interact. energy: -0.533
local terms energy: -72.551512
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -176.769984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769984 (E_RNA)
where:
Base-Base interactions energy: -113.502
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.007
local terms energy: -63.260975
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -11.364
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: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -156.143761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.143761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.143761 (E_RNA)
where:
Base-Base interactions energy: -97.676
where: short stacking energy: -51.667
Base-Backbone interact. energy: -0.547
local terms energy: -57.921367
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.395
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: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -111.445847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.445847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.445847 (E_RNA)
where:
Base-Base interactions energy: -58.391
where: short stacking energy: -35.261
Base-Backbone interact. energy: -0.175
local terms energy: -52.879471
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -94.396330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.396330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.396330 (E_RNA)
where:
Base-Base interactions energy: -49.222
where: short stacking energy: -37.589
Base-Backbone interact. energy: -0.066
local terms energy: -45.108371
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -7.669
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -266.583060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.583060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.583060 (E_RNA)
where:
Base-Base interactions energy: -186.865
where: short stacking energy: -76.509
Base-Backbone interact. energy: -0.221
local terms energy: -79.497072
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -20.103
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: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -261.984472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.984472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.984472 (E_RNA)
where:
Base-Base interactions energy: -187.082
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.021
local terms energy: -74.882261
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -242.233951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.233951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.233951 (E_RNA)
where:
Base-Base interactions energy: -166.575
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.232
local terms energy: -75.427400
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -20.591
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: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -224.126841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.126841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.126841 (E_RNA)
where:
Base-Base interactions energy: -156.991
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.663
local terms energy: -66.472921
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -225.109577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.109577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.109577 (E_RNA)
where:
Base-Base interactions energy: -158.897
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.273
local terms energy: -65.940249
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -178.402131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.402131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402131 (E_RNA)
where:
Base-Base interactions energy: -110.326
where: short stacking energy: -52.819
Base-Backbone interact. energy: -0.184
local terms energy: -67.892591
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -12.554
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: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -162.183202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.183202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.183202 (E_RNA)
where:
Base-Base interactions energy: -101.764
where: short stacking energy: -52.097
Base-Backbone interact. energy: -0.141
local terms energy: -60.278255
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -153.818669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.818669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.818669 (E_RNA)
where:
Base-Base interactions energy: -99.564
where: short stacking energy: -48.453
Base-Backbone interact. energy: -0.511
local terms energy: -53.743454
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -99.445501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.445501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.445501 (E_RNA)
where:
Base-Base interactions energy: -45.197
where: short stacking energy: -39.626
Base-Backbone interact. energy: -0.006
local terms energy: -54.242852
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -88.390568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.390568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.390568 (E_RNA)
where:
Base-Base interactions energy: -45.459
where: short stacking energy: -18.249
Base-Backbone interact. energy: -0.238
local terms energy: -42.694002
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -273.207895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.207895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.207895 (E_RNA)
where:
Base-Base interactions energy: -194.652
where: short stacking energy: -78.498
Base-Backbone interact. energy: -0.343
local terms energy: -78.213477
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -243.948379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.948379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.948379 (E_RNA)
where:
Base-Base interactions energy: -168.058
where: short stacking energy: -70.882
Base-Backbone interact. energy: -0.162
local terms energy: -75.728516
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -255.380661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.380661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.380661 (E_RNA)
where:
Base-Base interactions energy: -176.374
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.291
local terms energy: -78.715126
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -235.016659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.016659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.016659 (E_RNA)
where:
Base-Base interactions energy: -161.997
where: short stacking energy: -65.992
Base-Backbone interact. energy: 0.221
local terms energy: -73.240746
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -227.903196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.903196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.903196 (E_RNA)
where:
Base-Base interactions energy: -160.444
where: short stacking energy: -63.799
Base-Backbone interact. energy: 0.375
local terms energy: -67.834014
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -14.964
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: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -173.335987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335987 (E_RNA)
where:
Base-Base interactions energy: -110.385
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.541
local terms energy: -62.409776
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -162.693383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.693383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.693383 (E_RNA)
where:
Base-Base interactions energy: -97.290
where: short stacking energy: -44.835
Base-Backbone interact. energy: -0.692
local terms energy: -64.711507
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -155.416965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.416965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.416965 (E_RNA)
where:
Base-Base interactions energy: -99.677
where: short stacking energy: -48.721
Base-Backbone interact. energy: -0.371
local terms energy: -55.369058
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -96.294520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.294520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.294520 (E_RNA)
where:
Base-Base interactions energy: -42.792
where: short stacking energy: -34.243
Base-Backbone interact. energy: -1.172
local terms energy: -52.330949
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -116.711524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.711524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.711524 (E_RNA)
where:
Base-Base interactions energy: -68.254
where: short stacking energy: -25.428
Base-Backbone interact. energy: 3.221
local terms energy: -51.678958
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -278.222666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.222666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.222666 (E_RNA)
where:
Base-Base interactions energy: -200.328
where: short stacking energy: -73.238
Base-Backbone interact. energy: -0.014
local terms energy: -77.879948
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -22.338
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -239.596777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.596777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.596777 (E_RNA)
where:
Base-Base interactions energy: -172.192
where: short stacking energy: -72.975
Base-Backbone interact. energy: 0.162
local terms energy: -67.567579
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -243.585420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.585420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.585420 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.592
local terms energy: -77.608907
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -14.439
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: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -250.237069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.237069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.237069 (E_RNA)
where:
Base-Base interactions energy: -179.395
where: short stacking energy: -72.042
Base-Backbone interact. energy: -1.398
local terms energy: -69.443673
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -218.772005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.772005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.772005 (E_RNA)
where:
Base-Base interactions energy: -154.121
where: short stacking energy: -63.115
Base-Backbone interact. energy: -0.113
local terms energy: -64.537704
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -14.531
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -165.228537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.228537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.228537 (E_RNA)
where:
Base-Base interactions energy: -101.725
where: short stacking energy: -48.081
Base-Backbone interact. energy: -0.081
local terms energy: -63.422399
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -13.112
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: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -157.929182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.929182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.929182 (E_RNA)
where:
Base-Base interactions energy: -92.852
where: short stacking energy: -47.941
Base-Backbone interact. energy: -0.043
local terms energy: -65.034032
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -157.287487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.287487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.287487 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -47.928
Base-Backbone interact. energy: -0.867
local terms energy: -62.535758
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -8.631
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -13.675
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: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -78.154671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.154671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.154671 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -10.697
Base-Backbone interact. energy: -0.940
local terms energy: -45.784400
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: 5.607
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: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -79.202673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.202673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.202673 (E_RNA)
where:
Base-Base interactions energy: -37.109
where: short stacking energy: -25.101
Base-Backbone interact. energy: 0.586
local terms energy: -42.679359
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -5.348
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: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -275.679773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.679773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.679773 (E_RNA)
where:
Base-Base interactions energy: -199.658
where: short stacking energy: -70.158
Base-Backbone interact. energy: -0.124
local terms energy: -75.897988
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -233.420029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.420029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.420029 (E_RNA)
where:
Base-Base interactions energy: -155.975
where: short stacking energy: -69.442
Base-Backbone interact. energy: -1.051
local terms energy: -76.393695
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -19.167
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: 87
Temperature: 1.000000
Total energy: -226.816874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.816874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.816874 (E_RNA)
where:
Base-Base interactions energy: -158.203
where: short stacking energy: -67.201
Base-Backbone interact. energy: -1.337
local terms energy: -67.276915
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -8.087
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)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -252.321332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.321332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.321332 (E_RNA)
where:
Base-Base interactions energy: -179.139
where: short stacking energy: -70.959
Base-Backbone interact. energy: -0.781
local terms energy: -72.400989
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -215.830112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.830112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.830112 (E_RNA)
where:
Base-Base interactions energy: -144.794
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.363
local terms energy: -70.673252
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -5.682
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: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -167.164593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.164593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.164593 (E_RNA)
where:
Base-Base interactions energy: -101.197
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.186
local terms energy: -65.780955
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -9.448
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: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -170.045996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.045996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.045996 (E_RNA)
where:
Base-Base interactions energy: -100.904
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.129
local terms energy: -69.013552
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -162.267481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.267481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.267481 (E_RNA)
where:
Base-Base interactions energy: -103.357
where: short stacking energy: -55.520
Base-Backbone interact. energy: -0.132
local terms energy: -58.778135
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -88.044309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.044309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.044309 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.193
local terms energy: -52.238715
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -3.066
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: 87
Temperature: 1.350000
Total energy: -93.984176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.984176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.984176 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -36.768
Base-Backbone interact. energy: 0.050
local terms energy: -55.528069
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -280.186182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.186182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.186182 (E_RNA)
where:
Base-Base interactions energy: -196.948
where: short stacking energy: -73.131
Base-Backbone interact. energy: -0.038
local terms energy: -83.199255
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -241.535271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.535271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.535271 (E_RNA)
where:
Base-Base interactions energy: -169.591
where: short stacking energy: -67.946
Base-Backbone interact. energy: -1.001
local terms energy: -70.943036
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -17.086
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: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -255.382485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.382485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.382485 (E_RNA)
where:
Base-Base interactions energy: -178.215
where: short stacking energy: -74.072
Base-Backbone interact. energy: -1.738
local terms energy: -75.429404
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -238.860400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.860400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.860400 (E_RNA)
where:
Base-Base interactions energy: -167.863
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.202
local terms energy: -70.795616
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -15.434
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: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -171.580291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.580291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.580291 (E_RNA)
where:
Base-Base interactions energy: -105.568
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.892
local terms energy: -65.120493
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -201.603387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.603387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.603387 (E_RNA)
where:
Base-Base interactions energy: -139.977
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.078
local terms energy: -61.548305
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -163.780366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.780366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.780366 (E_RNA)
where:
Base-Base interactions energy: -97.439
where: short stacking energy: -48.147
Base-Backbone interact. energy: -0.613
local terms energy: -65.728277
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -173.241933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.241933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.241933 (E_RNA)
where:
Base-Base interactions energy: -110.045
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.166
local terms energy: -63.030944
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -12.849
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: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -92.087450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087450 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.310
local terms energy: -55.377656
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -86.783028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783028 (E_RNA)
where:
Base-Base interactions energy: -43.456
where: short stacking energy: -40.955
Base-Backbone interact. energy: 0.619
local terms energy: -43.945735
where:
bonds (distance) C4'-P energy: -4.509
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -5.642
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -282.222084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.222084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.222084 (E_RNA)
where:
Base-Base interactions energy: -202.833
where: short stacking energy: -82.328
Base-Backbone interact. energy: -0.017
local terms energy: -79.371924
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -23.002
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: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -254.522720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.522720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.522720 (E_RNA)
where:
Base-Base interactions energy: -187.732
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.054
local terms energy: -66.736101
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -17.724
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: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -242.522441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.522441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.522441 (E_RNA)
where:
Base-Base interactions energy: -164.129
where: short stacking energy: -66.239
Base-Backbone interact. energy: -1.301
local terms energy: -77.091857
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -223.551848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.551848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.551848 (E_RNA)
where:
Base-Base interactions energy: -155.957
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.223
local terms energy: -67.371924
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -13.920
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: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -171.151500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.151500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.151500 (E_RNA)
where:
Base-Base interactions energy: -103.603
where: short stacking energy: -44.536
Base-Backbone interact. energy: -1.263
local terms energy: -66.285776
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -11.820
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: 89
Temperature: 1.150000
Total energy: -203.044476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.044476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.044476 (E_RNA)
where:
Base-Base interactions energy: -145.660
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.164
local terms energy: -57.219604
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -150.617508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.617508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.617508 (E_RNA)
where:
Base-Base interactions energy: -95.903
where: short stacking energy: -45.528
Base-Backbone interact. energy: 1.011
local terms energy: -55.725262
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -118.753199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.753199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.753199 (E_RNA)
where:
Base-Base interactions energy: -63.527
where: short stacking energy: -31.138
Base-Backbone interact. energy: -0.159
local terms energy: -55.066781
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -6.554
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: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -163.396473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.396473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.396473 (E_RNA)
where:
Base-Base interactions energy: -99.603
where: short stacking energy: -42.664
Base-Backbone interact. energy: -0.306
local terms energy: -63.487700
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -85.120458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.120458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.120458 (E_RNA)
where:
Base-Base interactions energy: -36.547
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.120
local terms energy: -48.453493
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: 0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -273.159568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.159568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.159568 (E_RNA)
where:
Base-Base interactions energy: -183.965
where: short stacking energy: -77.348
Base-Backbone interact. energy: -0.276
local terms energy: -88.918269
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -256.806485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.806485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.806485 (E_RNA)
where:
Base-Base interactions energy: -179.069
where: short stacking energy: -67.391
Base-Backbone interact. energy: -1.145
local terms energy: -76.591544
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -17.730
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: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -240.633039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.633039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.633039 (E_RNA)
where:
Base-Base interactions energy: -171.657
where: short stacking energy: -70.806
Base-Backbone interact. energy: 0.077
local terms energy: -69.053428
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -215.954736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.954736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.954736 (E_RNA)
where:
Base-Base interactions energy: -141.899
where: short stacking energy: -55.041
Base-Backbone interact. energy: -1.115
local terms energy: -72.939814
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -11.247
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)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -215.200313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.200313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.200313 (E_RNA)
where:
Base-Base interactions energy: -144.539
where: short stacking energy: -51.573
Base-Backbone interact. energy: -0.221
local terms energy: -70.440816
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -173.878268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.878268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.878268 (E_RNA)
where:
Base-Base interactions energy: -105.861
where: short stacking energy: -56.228
Base-Backbone interact. energy: -1.062
local terms energy: -66.955915
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.810
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: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -173.893320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.893320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.893320 (E_RNA)
where:
Base-Base interactions energy: -102.123
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.000
local terms energy: -71.769818
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -148.041245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.041245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.041245 (E_RNA)
where:
Base-Base interactions energy: -95.970
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.120
local terms energy: -51.951123
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -154.259081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.259081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.259081 (E_RNA)
where:
Base-Base interactions energy: -96.638
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.079
local terms energy: -57.541811
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -5.755
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: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -87.255752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.255752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.255752 (E_RNA)
where:
Base-Base interactions energy: -36.624
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.362
local terms energy: -50.269746
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -2.293
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: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -272.805713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.805713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.805713 (E_RNA)
where:
Base-Base interactions energy: -187.433
where: short stacking energy: -78.890
Base-Backbone interact. energy: -0.645
local terms energy: -84.728327
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -23.381
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: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -258.306510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.306510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.306510 (E_RNA)
where:
Base-Base interactions energy: -184.123
where: short stacking energy: -75.358
Base-Backbone interact. energy: 0.450
local terms energy: -74.633513
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -235.223241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.223241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.223241 (E_RNA)
where:
Base-Base interactions energy: -161.778
where: short stacking energy: -67.198
Base-Backbone interact. energy: -0.776
local terms energy: -72.669036
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -210.481855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.481855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.481855 (E_RNA)
where:
Base-Base interactions energy: -148.181
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.179
local terms energy: -62.121944
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -221.723488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723488 (E_RNA)
where:
Base-Base interactions energy: -157.683
where: short stacking energy: -67.326
Base-Backbone interact. energy: 0.445
local terms energy: -64.485427
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -166.958109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.958109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.958109 (E_RNA)
where:
Base-Base interactions energy: -107.915
where: short stacking energy: -51.460
Base-Backbone interact. energy: -0.122
local terms energy: -58.921173
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -167.760087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.760087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.760087 (E_RNA)
where:
Base-Base interactions energy: -105.717
where: short stacking energy: -49.446
Base-Backbone interact. energy: -0.535
local terms energy: -61.508194
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -153.667316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.667316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.667316 (E_RNA)
where:
Base-Base interactions energy: -92.728
where: short stacking energy: -48.902
Base-Backbone interact. energy: -0.875
local terms energy: -60.064275
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -10.630
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: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -104.090555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.090555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.090555 (E_RNA)
where:
Base-Base interactions energy: -61.800
where: short stacking energy: -34.894
Base-Backbone interact. energy: -0.299
local terms energy: -41.991985
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -1.494
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: 91
Temperature: 1.350000
Total energy: -94.288604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.288604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.288604 (E_RNA)
where:
Base-Base interactions energy: -51.226
where: short stacking energy: -31.276
Base-Backbone interact. energy: 0.145
local terms energy: -43.206992
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -263.791229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.791229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.791229 (E_RNA)
where:
Base-Base interactions energy: -186.323
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.053
local terms energy: -77.415446
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -263.519489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.519489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.519489 (E_RNA)
where:
Base-Base interactions energy: -187.234
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.017
local terms energy: -76.268533
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -240.454252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.454252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.454252 (E_RNA)
where:
Base-Base interactions energy: -160.489
where: short stacking energy: -62.223
Base-Backbone interact. energy: -2.245
local terms energy: -77.720319
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -225.215357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.215357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.215357 (E_RNA)
where:
Base-Base interactions energy: -155.369
where: short stacking energy: -61.474
Base-Backbone interact. energy: 0.785
local terms energy: -70.631964
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -16.155
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: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -222.937041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.937041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.937041 (E_RNA)
where:
Base-Base interactions energy: -155.519
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.144
local terms energy: -67.274620
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -161.693981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.693981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.693981 (E_RNA)
where:
Base-Base interactions energy: -106.795
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.899
local terms energy: -54.000217
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -165.824358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.824358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.824358 (E_RNA)
where:
Base-Base interactions energy: -113.690
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.205
local terms energy: -51.929854
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -158.608113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.608113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.608113 (E_RNA)
where:
Base-Base interactions energy: -100.086
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.112
local terms energy: -58.409358
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -92.191020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.191020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.191020 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.127
local terms energy: -55.056040
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -87.112154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.112154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.112154 (E_RNA)
where:
Base-Base interactions energy: -38.100
where: short stacking energy: -34.878
Base-Backbone interact. energy: -0.123
local terms energy: -48.889723
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -1.729
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: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -268.060834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.060834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.060834 (E_RNA)
where:
Base-Base interactions energy: -183.197
where: short stacking energy: -77.246
Base-Backbone interact. energy: -0.076
local terms energy: -84.787428
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -261.311027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.311027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.311027 (E_RNA)
where:
Base-Base interactions energy: -170.886
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.056
local terms energy: -90.368667
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -24.065
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: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -234.249940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.249940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.249940 (E_RNA)
where:
Base-Base interactions energy: -149.720
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.376
local terms energy: -84.153496
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -17.422
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: 93
Temperature: 1.050000
Total energy: -232.349368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.349368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.349368 (E_RNA)
where:
Base-Base interactions energy: -163.729
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.706
local terms energy: -67.913952
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -15.227
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: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -222.784740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.784740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.784740 (E_RNA)
where:
Base-Base interactions energy: -152.504
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.246
local terms energy: -70.035354
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -158.070647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.070647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.070647 (E_RNA)
where:
Base-Base interactions energy: -102.119
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.017
local terms energy: -55.933861
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -174.670613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.670613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.670613 (E_RNA)
where:
Base-Base interactions energy: -111.252
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.032
local terms energy: -63.385708
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -159.568759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.568759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.568759 (E_RNA)
where:
Base-Base interactions energy: -93.047
where: short stacking energy: -53.592
Base-Backbone interact. energy: -0.002
local terms energy: -66.519020
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -97.039290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.039290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.039290 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -25.090
Base-Backbone interact. energy: 3.080
local terms energy: -61.544748
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.833
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: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -84.783761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.783761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.783761 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -21.649
Base-Backbone interact. energy: 2.539
local terms energy: -45.266242
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -263.414480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.414480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.414480 (E_RNA)
where:
Base-Base interactions energy: -181.839
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.205
local terms energy: -81.370241
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -20.061
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: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -265.958774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.958774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.958774 (E_RNA)
where:
Base-Base interactions energy: -184.269
where: short stacking energy: -78.288
Base-Backbone interact. energy: -0.002
local terms energy: -81.687607
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -21.724
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -241.701241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.701241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.701241 (E_RNA)
where:
Base-Base interactions energy: -165.940
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.353
local terms energy: -75.408832
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -15.803
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: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -224.225156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225156 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.145
local terms energy: -72.683675
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -221.875715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.875715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.875715 (E_RNA)
where:
Base-Base interactions energy: -152.268
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.338
local terms energy: -69.269964
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -181.295051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295051 (E_RNA)
where:
Base-Base interactions energy: -121.724
where: short stacking energy: -55.140
Base-Backbone interact. energy: 0.104
local terms energy: -59.675200
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -168.600610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.600610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.600610 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -49.676
Base-Backbone interact. energy: 0.068
local terms energy: -67.601294
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -10.469
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: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -148.882546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.882546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.882546 (E_RNA)
where:
Base-Base interactions energy: -98.844
where: short stacking energy: -50.390
Base-Backbone interact. energy: 0.101
local terms energy: -50.139359
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -89.101318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.101318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.101318 (E_RNA)
where:
Base-Base interactions energy: -38.889
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.070
local terms energy: -50.142213
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -8.241
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: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -120.486830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.486830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.486830 (E_RNA)
where:
Base-Base interactions energy: -65.909
where: short stacking energy: -22.351
Base-Backbone interact. energy: -0.107
local terms energy: -54.470555
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -265.286402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.286402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.286402 (E_RNA)
where:
Base-Base interactions energy: -180.687
where: short stacking energy: -67.812
Base-Backbone interact. energy: -2.409
local terms energy: -82.190568
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -20.831
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: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -236.734195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.734195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.734195 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.622
local terms energy: -75.920756
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -15.904
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: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -255.366563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.366563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.366563 (E_RNA)
where:
Base-Base interactions energy: -173.845
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.592
local terms energy: -80.930017
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -216.585950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.585950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.585950 (E_RNA)
where:
Base-Base interactions energy: -149.468
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.236
local terms energy: -66.881733
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.988
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -219.693235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.693235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.693235 (E_RNA)
where:
Base-Base interactions energy: -154.799
where: short stacking energy: -61.958
Base-Backbone interact. energy: 0.181
local terms energy: -65.075651
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -15.494
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -165.610143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.610143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.610143 (E_RNA)
where:
Base-Base interactions energy: -107.175
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.050
local terms energy: -58.385481
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -6.915
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: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -166.442577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.442577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.442577 (E_RNA)
where:
Base-Base interactions energy: -100.597
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.045
local terms energy: -65.800542
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -159.622643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.622643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.622643 (E_RNA)
where:
Base-Base interactions energy: -95.858
where: short stacking energy: -44.485
Base-Backbone interact. energy: -0.768
local terms energy: -62.997473
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -92.140394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.140394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.140394 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.038
local terms energy: -43.999845
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -7.632
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -144.372301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.372301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.372301 (E_RNA)
where:
Base-Base interactions energy: -88.981
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.065
local terms energy: -55.326728
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -246.559666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.559666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.559666 (E_RNA)
where:
Base-Base interactions energy: -166.518
where: short stacking energy: -65.268
Base-Backbone interact. energy: -1.733
local terms energy: -78.308670
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -264.615614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.615614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.615614 (E_RNA)
where:
Base-Base interactions energy: -183.949
where: short stacking energy: -80.500
Base-Backbone interact. energy: -1.714
local terms energy: -78.952302
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -260.242497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.242497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.242497 (E_RNA)
where:
Base-Base interactions energy: -176.917
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.568
local terms energy: -82.757809
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -20.003
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -223.094144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.094144 (E_RNA)
where:
Base-Base interactions energy: -161.796
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.141
local terms energy: -61.156905
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -12.655
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: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -225.524866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.524866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.524866 (E_RNA)
where:
Base-Base interactions energy: -158.919
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.197
local terms energy: -66.409535
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -14.222
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -162.119617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.119617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.119617 (E_RNA)
where:
Base-Base interactions energy: -99.354
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.124
local terms energy: -62.641719
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -169.827902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.827902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.827902 (E_RNA)
where:
Base-Base interactions energy: -101.405
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.431
local terms energy: -67.991671
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -161.198040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.198040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.198040 (E_RNA)
where:
Base-Base interactions energy: -101.319
where: short stacking energy: -46.732
Base-Backbone interact. energy: 0.019
local terms energy: -59.898793
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -9.782
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: 96
Temperature: 1.300000
Total energy: -177.547737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.547737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.547737 (E_RNA)
where:
Base-Base interactions energy: -117.637
where: short stacking energy: -66.629
Base-Backbone interact. energy: -0.001
local terms energy: -59.909085
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -145.217435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.217435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.217435 (E_RNA)
where:
Base-Base interactions energy: -91.138
where: short stacking energy: -46.712
Base-Backbone interact. energy: -0.846
local terms energy: -53.233624
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -235.358455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.358455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.358455 (E_RNA)
where:
Base-Base interactions energy: -163.478
where: short stacking energy: -69.847
Base-Backbone interact. energy: -0.219
local terms energy: -71.661471
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -260.933750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.933750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.933750 (E_RNA)
where:
Base-Base interactions energy: -181.314
where: short stacking energy: -75.008
Base-Backbone interact. energy: -0.004
local terms energy: -79.615092
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.500
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: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -258.466193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.466193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.466193 (E_RNA)
where:
Base-Base interactions energy: -174.907
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.373
local terms energy: -83.185621
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -225.239230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.239230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.239230 (E_RNA)
where:
Base-Base interactions energy: -146.430
where: short stacking energy: -63.325
Base-Backbone interact. energy: 2.703
local terms energy: -81.512302
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -220.299440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.299440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.299440 (E_RNA)
where:
Base-Base interactions energy: -154.384
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.344
local terms energy: -65.571457
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.443
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: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -178.944093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.944093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.944093 (E_RNA)
where:
Base-Base interactions energy: -105.651
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.412
local terms energy: -72.881237
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -168.524036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.524036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.524036 (E_RNA)
where:
Base-Base interactions energy: -101.526
where: short stacking energy: -56.965
Base-Backbone interact. energy: -0.111
local terms energy: -66.886868
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -12.087
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: 97
Temperature: 1.250000
Total energy: -150.295978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.295978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.295978 (E_RNA)
where:
Base-Base interactions energy: -85.070
where: short stacking energy: -46.466
Base-Backbone interact. energy: -0.228
local terms energy: -64.998233
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -152.467247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.467247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.467247 (E_RNA)
where:
Base-Base interactions energy: -89.876
where: short stacking energy: -43.131
Base-Backbone interact. energy: -0.086
local terms energy: -62.505349
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -145.759143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.759143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.759143 (E_RNA)
where:
Base-Base interactions energy: -88.069
where: short stacking energy: -41.409
Base-Backbone interact. energy: 3.568
local terms energy: -61.258770
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -269.188728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.188728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.188728 (E_RNA)
where:
Base-Base interactions energy: -187.418
where: short stacking energy: -77.620
Base-Backbone interact. energy: -1.351
local terms energy: -80.419958
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -238.453775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.453775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.453775 (E_RNA)
where:
Base-Base interactions energy: -165.106
where: short stacking energy: -68.302
Base-Backbone interact. energy: -0.494
local terms energy: -72.853563
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -261.955432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.955432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.955432 (E_RNA)
where:
Base-Base interactions energy: -185.808
where: short stacking energy: -66.511
Base-Backbone interact. energy: -0.714
local terms energy: -75.433006
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -213.945759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.945759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.945759 (E_RNA)
where:
Base-Base interactions energy: -143.551
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.829
local terms energy: -69.565699
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.314
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -170.073481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.073481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.073481 (E_RNA)
where:
Base-Base interactions energy: -100.771
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.147
local terms energy: -69.155160
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -14.058
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: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -208.650106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.650106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.650106 (E_RNA)
where:
Base-Base interactions energy: -140.934
where: short stacking energy: -56.310
Base-Backbone interact. energy: 0.007
local terms energy: -67.722702
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -158.906170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.906170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.906170 (E_RNA)
where:
Base-Base interactions energy: -105.987
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.151
local terms energy: -52.768177
where:
bonds (distance) C4'-P energy: -6.284
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -161.455975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.455975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.455975 (E_RNA)
where:
Base-Base interactions energy: -100.763
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.118
local terms energy: -60.575251
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -146.973734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.973734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.973734 (E_RNA)
where:
Base-Base interactions energy: -89.686
where: short stacking energy: -43.068
Base-Backbone interact. energy: -0.276
local terms energy: -57.011720
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -131.885865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.885865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.885865 (E_RNA)
where:
Base-Base interactions energy: -82.020
where: short stacking energy: -37.528
Base-Backbone interact. energy: -0.434
local terms energy: -49.431978
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -268.020530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.020530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.020530 (E_RNA)
where:
Base-Base interactions energy: -185.387
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.012
local terms energy: -82.621128
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -19.909
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: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -268.180141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.180141 (E_RNA)
where:
Base-Base interactions energy: -184.142
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.994
local terms energy: -83.044699
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -22.668
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -236.655542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.655542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.655542 (E_RNA)
where:
Base-Base interactions energy: -169.426
where: short stacking energy: -68.664
Base-Backbone interact. energy: -0.068
local terms energy: -67.161276
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -228.447595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.447595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.447595 (E_RNA)
where:
Base-Base interactions energy: -157.063
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.484
local terms energy: -70.900661
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -172.920850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.920850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.920850 (E_RNA)
where:
Base-Base interactions energy: -118.518
where: short stacking energy: -54.600
Base-Backbone interact. energy: -0.137
local terms energy: -54.265253
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -223.652798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.652798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.652798 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.157
local terms energy: -77.574818
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -174.291242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.291242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.291242 (E_RNA)
where:
Base-Base interactions energy: -115.414
where: short stacking energy: -58.016
Base-Backbone interact. energy: -0.069
local terms energy: -58.808546
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -14.535
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: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -147.829882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.829882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.829882 (E_RNA)
where:
Base-Base interactions energy: -83.066
where: short stacking energy: -41.203
Base-Backbone interact. energy: -0.207
local terms energy: -64.557279
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -7.871
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: 99
Temperature: 1.300000
Total energy: -142.592269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.592269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.592269 (E_RNA)
where:
Base-Base interactions energy: -89.055
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.152
local terms energy: -53.384982
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -136.510747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.510747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.510747 (E_RNA)
where:
Base-Base interactions energy: -88.216
where: short stacking energy: -42.809
Base-Backbone interact. energy: -0.085
local terms energy: -48.209268
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -276.004105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.004105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.004105 (E_RNA)
where:
Base-Base interactions energy: -192.997
where: short stacking energy: -80.311
Base-Backbone interact. energy: -0.170
local terms energy: -82.836839
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -260.438836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.438836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.438836 (E_RNA)
where:
Base-Base interactions energy: -181.759
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.032
local terms energy: -78.648257
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -228.599541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.599541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.599541 (E_RNA)
where:
Base-Base interactions energy: -151.236
where: short stacking energy: -65.455
Base-Backbone interact. energy: -0.599
local terms energy: -76.765412
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -232.325769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.325769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.325769 (E_RNA)
where:
Base-Base interactions energy: -152.529
where: short stacking energy: -60.606
Base-Backbone interact. energy: -0.183
local terms energy: -79.613865
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -217.151083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.151083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.151083 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.899
local terms energy: -73.254604
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -196.418687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.418687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.418687 (E_RNA)
where:
Base-Base interactions energy: -125.640
where: short stacking energy: -43.620
Base-Backbone interact. energy: -0.669
local terms energy: -70.109645
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -11.823
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: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -159.980819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.980819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.980819 (E_RNA)
where:
Base-Base interactions energy: -104.349
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.275
local terms energy: -55.356837
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.742
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: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -146.224988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.224988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.224988 (E_RNA)
where:
Base-Base interactions energy: -89.294
where: short stacking energy: -39.584
Base-Backbone interact. energy: -0.202
local terms energy: -56.728994
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -11.154
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: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -145.111462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.111462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.111462 (E_RNA)
where:
Base-Base interactions energy: -94.462
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.061
local terms energy: -50.588043
where:
bonds (distance) C4'-P energy: -4.369
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -6.895
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: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -126.844635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.844635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.844635 (E_RNA)
where:
Base-Base interactions energy: -78.588
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.076
local terms energy: -48.181425
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -264.009232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.009232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.009232 (E_RNA)
where:
Base-Base interactions energy: -188.734
where: short stacking energy: -74.705
Base-Backbone interact. energy: -0.139
local terms energy: -75.136862
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -17.840
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: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -265.409658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.409658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.409658 (E_RNA)
where:
Base-Base interactions energy: -185.228
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.634
local terms energy: -79.546796
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -228.802586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.802586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.802586 (E_RNA)
where:
Base-Base interactions energy: -152.827
where: short stacking energy: -68.368
Base-Backbone interact. energy: -1.233
local terms energy: -74.743208
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -18.181
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: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -221.320478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.320478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.320478 (E_RNA)
where:
Base-Base interactions energy: -152.265
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.162
local terms energy: -68.893956
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -219.878341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.878341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.878341 (E_RNA)
where:
Base-Base interactions energy: -150.860
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.210
local terms energy: -68.807762
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -213.851500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.851500 (E_RNA)
where:
Base-Base interactions energy: -143.707
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.053
local terms energy: -70.090728
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -154.412883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.412883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.412883 (E_RNA)
where:
Base-Base interactions energy: -106.130
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.142
local terms energy: -48.141458
where:
bonds (distance) C4'-P energy: -4.722
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -152.475226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.475226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.475226 (E_RNA)
where:
Base-Base interactions energy: -91.996
where: short stacking energy: -49.950
Base-Backbone interact. energy: -0.283
local terms energy: -60.196098
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -135.994981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.994981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.994981 (E_RNA)
where:
Base-Base interactions energy: -87.414
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.769
local terms energy: -47.811229
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -81.820583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.820583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.820583 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.167
local terms energy: -48.913642
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -266.678055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.678055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.678055 (E_RNA)
where:
Base-Base interactions energy: -181.497
where: short stacking energy: -78.355
Base-Backbone interact. energy: -1.118
local terms energy: -84.062512
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -24.456
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: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -263.229138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.229138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.229138 (E_RNA)
where:
Base-Base interactions energy: -194.671
where: short stacking energy: -75.507
Base-Backbone interact. energy: -0.431
local terms energy: -68.126559
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -239.792770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.792770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.792770 (E_RNA)
where:
Base-Base interactions energy: -166.079
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.863
local terms energy: -72.850540
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -218.841669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.841669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.841669 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.654
local terms energy: -72.277910
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -222.859246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.859246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.859246 (E_RNA)
where:
Base-Base interactions energy: -155.141
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.128
local terms energy: -67.590844
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.756
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: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -207.439246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.439246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.439246 (E_RNA)
where:
Base-Base interactions energy: -142.524
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.263
local terms energy: -64.652347
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.383
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: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -164.420148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.420148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.420148 (E_RNA)
where:
Base-Base interactions energy: -109.734
where: short stacking energy: -54.417
Base-Backbone interact. energy: 0.694
local terms energy: -55.379900
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -155.531850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.531850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.531850 (E_RNA)
where:
Base-Base interactions energy: -94.402
where: short stacking energy: -52.521
Base-Backbone interact. energy: -0.149
local terms energy: -60.980543
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -98.573593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.573593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.573593 (E_RNA)
where:
Base-Base interactions energy: -43.538
where: short stacking energy: -40.973
Base-Backbone interact. energy: 0.673
local terms energy: -55.708590
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -147.886757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.886757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.886757 (E_RNA)
where:
Base-Base interactions energy: -94.249
where: short stacking energy: -49.243
Base-Backbone interact. energy: -0.420
local terms energy: -53.218271
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -274.338624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.338624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.338624 (E_RNA)
where:
Base-Base interactions energy: -189.268
where: short stacking energy: -77.977
Base-Backbone interact. energy: -2.169
local terms energy: -82.901576
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -22.125
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: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -260.246863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.246863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.246863 (E_RNA)
where:
Base-Base interactions energy: -181.303
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.223
local terms energy: -78.720862
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -230.754335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.754335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.754335 (E_RNA)
where:
Base-Base interactions energy: -156.236
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.550
local terms energy: -73.968126
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -240.024783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.024783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.024783 (E_RNA)
where:
Base-Base interactions energy: -166.549
where: short stacking energy: -65.536
Base-Backbone interact. energy: -0.225
local terms energy: -73.249848
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -14.528
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: 103
Temperature: 1.100000
Total energy: -226.051017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.051017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.051017 (E_RNA)
where:
Base-Base interactions energy: -159.724
where: short stacking energy: -67.762
Base-Backbone interact. energy: -0.151
local terms energy: -66.175459
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -16.373
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: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -210.367039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.367039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.367039 (E_RNA)
where:
Base-Base interactions energy: -141.603
where: short stacking energy: -51.913
Base-Backbone interact. energy: -1.249
local terms energy: -67.515145
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -172.845174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.845174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.845174 (E_RNA)
where:
Base-Base interactions energy: -101.093
where: short stacking energy: -55.792
Base-Backbone interact. energy: -1.131
local terms energy: -70.621388
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -156.481553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.481553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.481553 (E_RNA)
where:
Base-Base interactions energy: -100.966
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.362
local terms energy: -55.153169
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -84.771714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.771714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.771714 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -23.239
Base-Backbone interact. energy: -0.250
local terms energy: -44.674926
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -3.335
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -87.730121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730121 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -19.657
Base-Backbone interact. energy: -0.540
local terms energy: -53.348217
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -262.763910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.763910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.763910 (E_RNA)
where:
Base-Base interactions energy: -186.350
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.038
local terms energy: -76.375707
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -266.371209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.371209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.371209 (E_RNA)
where:
Base-Base interactions energy: -188.263
where: short stacking energy: -78.821
Base-Backbone interact. energy: -0.635
local terms energy: -77.473512
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -218.276681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.276681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.276681 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.196
local terms energy: -72.157414
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -215.633804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.633804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.633804 (E_RNA)
where:
Base-Base interactions energy: -148.331
where: short stacking energy: -53.342
Base-Backbone interact. energy: 0.592
local terms energy: -67.895220
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -217.883433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.883433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.883433 (E_RNA)
where:
Base-Base interactions energy: -145.734
where: short stacking energy: -64.778
Base-Backbone interact. energy: 0.979
local terms energy: -73.127848
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -204.160013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.160013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.160013 (E_RNA)
where:
Base-Base interactions energy: -140.159
where: short stacking energy: -52.476
Base-Backbone interact. energy: -1.381
local terms energy: -62.619171
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -158.237158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.237158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.237158 (E_RNA)
where:
Base-Base interactions energy: -96.616
where: short stacking energy: -43.383
Base-Backbone interact. energy: 1.520
local terms energy: -63.142001
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -155.742805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.742805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.742805 (E_RNA)
where:
Base-Base interactions energy: -94.892
where: short stacking energy: -45.110
Base-Backbone interact. energy: 1.384
local terms energy: -62.235432
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -93.579471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.579471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.579471 (E_RNA)
where:
Base-Base interactions energy: -42.087
where: short stacking energy: -29.604
Base-Backbone interact. energy: 0.183
local terms energy: -51.674866
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -84.420161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.420161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.420161 (E_RNA)
where:
Base-Base interactions energy: -31.143
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.270
local terms energy: -53.007127
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -265.908489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.908489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.908489 (E_RNA)
where:
Base-Base interactions energy: -186.660
where: short stacking energy: -80.924
Base-Backbone interact. energy: -1.225
local terms energy: -78.023466
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -22.407
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: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -263.999350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.999350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.999350 (E_RNA)
where:
Base-Base interactions energy: -183.645
where: short stacking energy: -75.655
Base-Backbone interact. energy: -1.120
local terms energy: -79.234800
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -235.731499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.731499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.731499 (E_RNA)
where:
Base-Base interactions energy: -166.055
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.253
local terms energy: -69.423566
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -209.519379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.519379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.519379 (E_RNA)
where:
Base-Base interactions energy: -135.288
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.877
local terms energy: -73.354925
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -17.436
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: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -203.574402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.574402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.574402 (E_RNA)
where:
Base-Base interactions energy: -136.411
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.211
local terms energy: -66.953126
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -208.030108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.030108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.030108 (E_RNA)
where:
Base-Base interactions energy: -143.368
where: short stacking energy: -59.215
Base-Backbone interact. energy: -1.182
local terms energy: -63.480637
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -11.907
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: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -163.969312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.969312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.969312 (E_RNA)
where:
Base-Base interactions energy: -100.850
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.293
local terms energy: -62.826120
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -88.751516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.751516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.751516 (E_RNA)
where:
Base-Base interactions energy: -39.039
where: short stacking energy: -21.829
Base-Backbone interact. energy: -0.887
local terms energy: -48.825037
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: 0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -151.296261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.296261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.296261 (E_RNA)
where:
Base-Base interactions energy: -96.129
where: short stacking energy: -53.323
Base-Backbone interact. energy: -1.186
local terms energy: -53.981065
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -8.455
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: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -81.179841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.179841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.179841 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -25.343
Base-Backbone interact. energy: -0.194
local terms energy: -43.879192
where:
bonds (distance) C4'-P energy: -5.622
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.801
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: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -269.918013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.918013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.918013 (E_RNA)
where:
Base-Base interactions energy: -188.481
where: short stacking energy: -80.424
Base-Backbone interact. energy: -0.853
local terms energy: -80.583886
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -10.021
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: 2, replica: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -254.224621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.224621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.224621 (E_RNA)
where:
Base-Base interactions energy: -180.853
where: short stacking energy: -73.939
Base-Backbone interact. energy: -0.554
local terms energy: -72.817195
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -15.461
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: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -231.314704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.314704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.314704 (E_RNA)
where:
Base-Base interactions energy: -162.016
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.354
local terms energy: -68.944969
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -211.513584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.513584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.513584 (E_RNA)
where:
Base-Base interactions energy: -149.669
where: short stacking energy: -50.994
Base-Backbone interact. energy: -0.850
local terms energy: -60.994675
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -7.359
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: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -216.934760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.934760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.934760 (E_RNA)
where:
Base-Base interactions energy: -146.444
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.253
local terms energy: -70.237419
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -13.542
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: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -207.205055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.205055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.205055 (E_RNA)
where:
Base-Base interactions energy: -144.771
where: short stacking energy: -48.869
Base-Backbone interact. energy: 0.681
local terms energy: -63.115172
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -157.347098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.347098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.347098 (E_RNA)
where:
Base-Base interactions energy: -95.338
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.177
local terms energy: -61.832062
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -92.383612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383612 (E_RNA)
where:
Base-Base interactions energy: -49.693
where: short stacking energy: -32.129
Base-Backbone interact. energy: 4.577
local terms energy: -47.267155
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -154.055930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.055930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.055930 (E_RNA)
where:
Base-Base interactions energy: -87.940
where: short stacking energy: -42.927
Base-Backbone interact. energy: 0.295
local terms energy: -66.411243
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -7.100
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: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -89.229462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.229462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.229462 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -33.444
Base-Backbone interact. energy: 2.809
local terms energy: -48.880255
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -3.915
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: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -266.315384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.315384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.315384 (E_RNA)
where:
Base-Base interactions energy: -179.947
where: short stacking energy: -76.614
Base-Backbone interact. energy: -1.251
local terms energy: -85.116863
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -259.334158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.334158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.334158 (E_RNA)
where:
Base-Base interactions energy: -176.501
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.003
local terms energy: -82.830111
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -221.212326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.212326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.212326 (E_RNA)
where:
Base-Base interactions energy: -149.470
where: short stacking energy: -60.498
Base-Backbone interact. energy: -0.175
local terms energy: -71.567230
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.439
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: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -229.070441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.070441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.070441 (E_RNA)
where:
Base-Base interactions energy: -156.976
where: short stacking energy: -70.783
Base-Backbone interact. energy: -0.281
local terms energy: -71.813681
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -194.659684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.659684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.659684 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.175
local terms energy: -63.833200
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -11.414
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -162.745416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.745416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.745416 (E_RNA)
where:
Base-Base interactions energy: -99.172
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.582
local terms energy: -62.991027
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -202.502522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.502522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.502522 (E_RNA)
where:
Base-Base interactions energy: -139.365
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.691
local terms energy: -62.446933
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -8.236
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -11.930
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: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -160.701896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.701896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.701896 (E_RNA)
where:
Base-Base interactions energy: -100.134
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.510
local terms energy: -60.058359
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -9.913
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: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -127.435192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.435192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.435192 (E_RNA)
where:
Base-Base interactions energy: -82.599
where: short stacking energy: -43.245
Base-Backbone interact. energy: -0.265
local terms energy: -44.571300
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -1.361
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -86.419687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.419687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.419687 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.231
local terms energy: -50.643772
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -268.031451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.031451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.031451 (E_RNA)
where:
Base-Base interactions energy: -193.351
where: short stacking energy: -81.814
Base-Backbone interact. energy: 0.270
local terms energy: -74.949898
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -20.955
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: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -261.776653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.776653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.776653 (E_RNA)
where:
Base-Base interactions energy: -186.112
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.210
local terms energy: -75.454994
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -232.690064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.690064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.690064 (E_RNA)
where:
Base-Base interactions energy: -157.654
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.159
local terms energy: -74.877137
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -221.193459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.193459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193459 (E_RNA)
where:
Base-Base interactions energy: -157.751
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.780
local terms energy: -62.663282
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.635
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: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -176.585975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.585975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.585975 (E_RNA)
where:
Base-Base interactions energy: -100.408
where: short stacking energy: -60.291
Base-Backbone interact. energy: -0.144
local terms energy: -76.033925
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -16.414
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: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -203.863545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863545 (E_RNA)
where:
Base-Base interactions energy: -132.463
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.029
local terms energy: -71.371651
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -204.101324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.101324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.101324 (E_RNA)
where:
Base-Base interactions energy: -125.828
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.702
local terms energy: -77.571031
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -19.718
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: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -146.302824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.302824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.302824 (E_RNA)
where:
Base-Base interactions energy: -95.026
where: short stacking energy: -45.605
Base-Backbone interact. energy: -0.324
local terms energy: -50.953276
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -91.921399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.921399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.921399 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.261
local terms energy: -44.493887
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: 1.997
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -137.559462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.559462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.559462 (E_RNA)
where:
Base-Base interactions energy: -75.068
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.339
local terms energy: -62.152379
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -261.566029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.566029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.566029 (E_RNA)
where:
Base-Base interactions energy: -183.962
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.092
local terms energy: -77.512224
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -238.948921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.948921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.948921 (E_RNA)
where:
Base-Base interactions energy: -167.440
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.377
local terms energy: -71.132404
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -258.155090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.155090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.155090 (E_RNA)
where:
Base-Base interactions energy: -180.842
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.074
local terms energy: -77.239434
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -222.264420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.264420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.264420 (E_RNA)
where:
Base-Base interactions energy: -154.152
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.566
local terms energy: -67.546020
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -199.833391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.833391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.833391 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -74.140
Base-Backbone interact. energy: 0.762
local terms energy: -65.402971
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -19.858
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: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -217.883993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.883993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.883993 (E_RNA)
where:
Base-Base interactions energy: -148.586
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.123
local terms energy: -69.175415
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -16.223
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: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -194.445909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.445909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.445909 (E_RNA)
where:
Base-Base interactions energy: -130.956
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.071
local terms energy: -63.418226
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -166.381412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.381412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.381412 (E_RNA)
where:
Base-Base interactions energy: -100.308
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.014
local terms energy: -66.059156
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -9.097
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: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -154.248388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.248388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.248388 (E_RNA)
where:
Base-Base interactions energy: -92.442
where: short stacking energy: -45.399
Base-Backbone interact. energy: -0.567
local terms energy: -61.238760
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -138.707388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.707388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.707388 (E_RNA)
where:
Base-Base interactions energy: -81.955
where: short stacking energy: -38.581
Base-Backbone interact. energy: -0.172
local terms energy: -56.579663
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -267.825886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.825886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.825886 (E_RNA)
where:
Base-Base interactions energy: -186.494
where: short stacking energy: -80.699
Base-Backbone interact. energy: -0.016
local terms energy: -81.315962
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -23.051
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -244.163054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.163054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.163054 (E_RNA)
where:
Base-Base interactions energy: -161.959
where: short stacking energy: -69.436
Base-Backbone interact. energy: -1.069
local terms energy: -81.135266
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -15.930
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: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -261.014322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.014322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.014322 (E_RNA)
where:
Base-Base interactions energy: -182.951
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.784
local terms energy: -77.280036
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -219.736870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.736870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.736870 (E_RNA)
where:
Base-Base interactions energy: -149.291
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.632
local terms energy: -69.814691
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -12.112
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: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -221.142954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.142954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.142954 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.834
local terms energy: -69.119034
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -16.174
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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -176.879819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.879819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.879819 (E_RNA)
where:
Base-Base interactions energy: -112.090
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.144
local terms energy: -64.646144
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -157.743789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.743789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.743789 (E_RNA)
where:
Base-Base interactions energy: -96.561
where: short stacking energy: -52.766
Base-Backbone interact. energy: 1.742
local terms energy: -62.924493
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -7.146
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: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -181.192011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.192011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.192011 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -54.903
Base-Backbone interact. energy: -0.191
local terms energy: -63.703176
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -139.762502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.762502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.762502 (E_RNA)
where:
Base-Base interactions energy: -97.816
where: short stacking energy: -49.301
Base-Backbone interact. energy: 5.971
local terms energy: -47.916978
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -3.859
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: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -84.181693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.181693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.181693 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.956
local terms energy: -51.064372
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: 0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -273.136546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.136546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.136546 (E_RNA)
where:
Base-Base interactions energy: -199.666
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.028
local terms energy: -73.442240
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -268.755894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.755894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.755894 (E_RNA)
where:
Base-Base interactions energy: -194.782
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.282
local terms energy: -73.692132
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -233.487158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.487158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.487158 (E_RNA)
where:
Base-Base interactions energy: -160.584
where: short stacking energy: -68.036
Base-Backbone interact. energy: -0.291
local terms energy: -72.611771
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -220.767753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.767753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.767753 (E_RNA)
where:
Base-Base interactions energy: -147.970
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.265
local terms energy: -72.533072
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -211.177712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.177712 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.442
local terms energy: -69.477888
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -188.454452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.454452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.454452 (E_RNA)
where:
Base-Base interactions energy: -111.973
where: short stacking energy: -53.665
Base-Backbone interact. energy: -0.046
local terms energy: -76.435068
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -158.297100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.297100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.297100 (E_RNA)
where:
Base-Base interactions energy: -94.502
where: short stacking energy: -42.419
Base-Backbone interact. energy: 1.506
local terms energy: -65.300638
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -149.634854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.634854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.634854 (E_RNA)
where:
Base-Base interactions energy: -99.321
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.267
local terms energy: -50.046479
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -148.801675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.801675 (E_RNA)
where:
Base-Base interactions energy: -102.041
where: short stacking energy: -53.517
Base-Backbone interact. energy: 1.017
local terms energy: -47.778332
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -84.567120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.567120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.567120 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -35.793
Base-Backbone interact. energy: -0.184
local terms energy: -48.589281
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -262.954196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.954196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.954196 (E_RNA)
where:
Base-Base interactions energy: -185.845
where: short stacking energy: -74.705
Base-Backbone interact. energy: -0.114
local terms energy: -76.995252
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -276.556308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.556308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.556308 (E_RNA)
where:
Base-Base interactions energy: -203.706
where: short stacking energy: -78.184
Base-Backbone interact. energy: -0.016
local terms energy: -72.833867
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -22.526
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: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -229.679122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.679122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.679122 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -64.231
Base-Backbone interact. energy: -0.127
local terms energy: -80.742228
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -236.352490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.352490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.352490 (E_RNA)
where:
Base-Base interactions energy: -165.610
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.987
local terms energy: -69.756072
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -210.157347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.157347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.157347 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.919
local terms energy: -67.500151
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -178.878128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.878128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.878128 (E_RNA)
where:
Base-Base interactions energy: -112.977
where: short stacking energy: -58.109
Base-Backbone interact. energy: 1.946
local terms energy: -67.847364
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -14.900
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -181.163367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.163367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.163367 (E_RNA)
where:
Base-Base interactions energy: -113.330
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.037
local terms energy: -67.796888
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -164.715955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.715955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.715955 (E_RNA)
where:
Base-Base interactions energy: -97.223
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.208
local terms energy: -67.285331
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -13.257
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: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -89.308677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.308677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.308677 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.322
local terms energy: -52.757095
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -132.892209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.892209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.892209 (E_RNA)
where:
Base-Base interactions energy: -81.486
where: short stacking energy: -27.940
Base-Backbone interact. energy: 0.295
local terms energy: -51.701578
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: 3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -267.640222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.640222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.640222 (E_RNA)
where:
Base-Base interactions energy: -187.953
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.426
local terms energy: -79.260589
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -22.823
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: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -266.605781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.605781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.605781 (E_RNA)
where:
Base-Base interactions energy: -187.172
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.529
local terms energy: -78.904902
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -225.885552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.885552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.885552 (E_RNA)
where:
Base-Base interactions energy: -151.628
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.145
local terms energy: -74.112111
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -223.192237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.192237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.192237 (E_RNA)
where:
Base-Base interactions energy: -156.571
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.094
local terms energy: -66.527670
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -14.066
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: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -223.000254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.000254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.000254 (E_RNA)
where:
Base-Base interactions energy: -154.817
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.768
local terms energy: -67.415444
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -175.372610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.372610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.372610 (E_RNA)
where:
Base-Base interactions energy: -109.715
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.007
local terms energy: -65.651017
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -160.767751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.767751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.767751 (E_RNA)
where:
Base-Base interactions energy: -96.994
where: short stacking energy: -47.703
Base-Backbone interact. energy: -0.359
local terms energy: -63.414692
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -4.399
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: 113
Temperature: 1.250000
Total energy: -147.516277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.516277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.516277 (E_RNA)
where:
Base-Base interactions energy: -94.094
where: short stacking energy: -47.565
Base-Backbone interact. energy: -0.144
local terms energy: -53.277545
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.967
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: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -101.634120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.634120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.634120 (E_RNA)
where:
Base-Base interactions energy: -45.361
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.038
local terms energy: -56.235323
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -7.841
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: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -122.011645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.011645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.011645 (E_RNA)
where:
Base-Base interactions energy: -68.884
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.416
local terms energy: -52.711843
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -9.429
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: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -263.975968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.975968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.975968 (E_RNA)
where:
Base-Base interactions energy: -181.663
where: short stacking energy: -76.961
Base-Backbone interact. energy: -1.178
local terms energy: -81.135236
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -22.776
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: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -268.808183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.808183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.808183 (E_RNA)
where:
Base-Base interactions energy: -193.118
where: short stacking energy: -76.763
Base-Backbone interact. energy: -0.033
local terms energy: -75.656889
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -219.586663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.586663 (E_RNA)
where:
Base-Base interactions energy: -154.843
where: short stacking energy: -62.404
Base-Backbone interact. energy: -2.209
local terms energy: -62.534455
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -9.786
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: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -218.660564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.660564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.660564 (E_RNA)
where:
Base-Base interactions energy: -146.490
where: short stacking energy: -60.566
Base-Backbone interact. energy: -0.754
local terms energy: -71.416497
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -223.124584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124584 (E_RNA)
where:
Base-Base interactions energy: -157.926
where: short stacking energy: -63.774
Base-Backbone interact. energy: -0.745
local terms energy: -64.453915
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -17.110
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: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -162.469188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.469188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.469188 (E_RNA)
where:
Base-Base interactions energy: -96.922
where: short stacking energy: -52.682
Base-Backbone interact. energy: 0.348
local terms energy: -65.894953
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -160.269537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.269537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.269537 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.040
local terms energy: -59.162919
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -5.322
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: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -154.934524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.934524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.934524 (E_RNA)
where:
Base-Base interactions energy: -92.752
where: short stacking energy: -43.386
Base-Backbone interact. energy: -0.054
local terms energy: -62.127566
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -90.967898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.967898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.967898 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -37.173
Base-Backbone interact. energy: -0.105
local terms energy: -53.690391
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -78.312902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.312902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.312902 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -34.716
Base-Backbone interact. energy: -0.079
local terms energy: -43.421442
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -266.767245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.767245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.767245 (E_RNA)
where:
Base-Base interactions energy: -191.327
where: short stacking energy: -77.546
Base-Backbone interact. energy: -0.642
local terms energy: -74.797563
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -21.668
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: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -280.334384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.334384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.334384 (E_RNA)
where:
Base-Base interactions energy: -201.743
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.018
local terms energy: -78.573561
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -229.925078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.925078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.925078 (E_RNA)
where:
Base-Base interactions energy: -160.285
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.105
local terms energy: -69.534474
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -221.049204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.049204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.049204 (E_RNA)
where:
Base-Base interactions energy: -146.900
where: short stacking energy: -67.714
Base-Backbone interact. energy: -0.989
local terms energy: -73.159800
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -228.327804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.327804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.327804 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -67.221
Base-Backbone interact. energy: -0.233
local terms energy: -71.347803
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -12.800
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -194.171450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.171450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.171450 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -49.552
Base-Backbone interact. energy: -0.145
local terms energy: -67.395248
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -10.357
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: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -163.584152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.584152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.584152 (E_RNA)
where:
Base-Base interactions energy: -98.745
where: short stacking energy: -48.709
Base-Backbone interact. energy: -0.466
local terms energy: -64.373803
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -12.565
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -162.960604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.960604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.960604 (E_RNA)
where:
Base-Base interactions energy: -99.714
where: short stacking energy: -45.093
Base-Backbone interact. energy: -0.587
local terms energy: -62.658751
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -13.461
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: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -80.779714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.779714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.779714 (E_RNA)
where:
Base-Base interactions energy: -25.652
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.186
local terms energy: -54.942132
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -0.253
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: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -79.294735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.294735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.294735 (E_RNA)
where:
Base-Base interactions energy: -28.539
where: short stacking energy: -22.470
Base-Backbone interact. energy: -0.366
local terms energy: -50.389516
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: 2.825
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -270.273022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.273022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.273022 (E_RNA)
where:
Base-Base interactions energy: -195.498
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.015
local terms energy: -74.760134
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -265.824140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.824140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.824140 (E_RNA)
where:
Base-Base interactions energy: -188.297
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.329
local terms energy: -77.198325
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -24.548
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: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -227.155669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.155669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.155669 (E_RNA)
where:
Base-Base interactions energy: -156.049
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.269
local terms energy: -70.837603
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -12.438
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: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -221.402279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402279 (E_RNA)
where:
Base-Base interactions energy: -146.911
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.803
local terms energy: -73.688127
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -15.137
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -208.183020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.183020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.183020 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.665
local terms energy: -59.333169
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -203.714969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.714969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.714969 (E_RNA)
where:
Base-Base interactions energy: -136.710
where: short stacking energy: -53.868
Base-Backbone interact. energy: -0.284
local terms energy: -66.721727
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -158.404847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.404847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.404847 (E_RNA)
where:
Base-Base interactions energy: -96.212
where: short stacking energy: -49.853
Base-Backbone interact. energy: -0.114
local terms energy: -62.079630
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -10.640
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: 116
Temperature: 1.250000
Total energy: -154.865023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.865023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.865023 (E_RNA)
where:
Base-Base interactions energy: -90.413
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.980
local terms energy: -63.472123
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -8.623
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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -89.004293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.004293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.004293 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.212
local terms energy: -53.573152
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -96.233848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.233848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.233848 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.001
local terms energy: -54.918938
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -11.794
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: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -267.099761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.099761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.099761 (E_RNA)
where:
Base-Base interactions energy: -186.662
where: short stacking energy: -75.630
Base-Backbone interact. energy: -0.339
local terms energy: -80.098346
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -264.267347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.267347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.267347 (E_RNA)
where:
Base-Base interactions energy: -184.014
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.245
local terms energy: -80.008519
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -228.729892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.729892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.729892 (E_RNA)
where:
Base-Base interactions energy: -155.243
where: short stacking energy: -59.229
Base-Backbone interact. energy: 0.743
local terms energy: -74.229069
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -219.290888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.290888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.290888 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.598
local terms energy: -71.829556
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -215.084014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.084014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.084014 (E_RNA)
where:
Base-Base interactions energy: -146.118
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.571
local terms energy: -68.394791
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -205.040084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.040084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.040084 (E_RNA)
where:
Base-Base interactions energy: -136.338
where: short stacking energy: -43.522
Base-Backbone interact. energy: -1.171
local terms energy: -67.530687
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -183.605963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.605963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.605963 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -51.951
Base-Backbone interact. energy: -0.091
local terms energy: -62.034702
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -106.589253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.589253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.589253 (E_RNA)
where:
Base-Base interactions energy: -44.832
where: short stacking energy: -44.832
Base-Backbone interact. energy: -0.004
local terms energy: -61.753261
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -7.950
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: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -157.845948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.845948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.845948 (E_RNA)
where:
Base-Base interactions energy: -97.389
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.225
local terms energy: -60.231813
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -75.049036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.049036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.049036 (E_RNA)
where:
Base-Base interactions energy: -24.895
where: short stacking energy: -24.895
Base-Backbone interact. energy: 0.944
local terms energy: -51.098785
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -278.432860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.432860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.432860 (E_RNA)
where:
Base-Base interactions energy: -195.318
where: short stacking energy: -78.781
Base-Backbone interact. energy: -0.006
local terms energy: -83.108362
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -25.073
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: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -264.844895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.844895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.844895 (E_RNA)
where:
Base-Base interactions energy: -183.035
where: short stacking energy: -75.504
Base-Backbone interact. energy: -0.237
local terms energy: -81.573784
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -230.743409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.743409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.743409 (E_RNA)
where:
Base-Base interactions energy: -160.187
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.678
local terms energy: -69.878661
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -216.098297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.098297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.098297 (E_RNA)
where:
Base-Base interactions energy: -141.679
where: short stacking energy: -61.488
Base-Backbone interact. energy: -1.020
local terms energy: -73.399394
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -217.701413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.701413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.701413 (E_RNA)
where:
Base-Base interactions energy: -153.776
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.181
local terms energy: -63.743855
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -205.986748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.986748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.986748 (E_RNA)
where:
Base-Base interactions energy: -145.194
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.307
local terms energy: -60.486079
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -11.798
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: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -99.444716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.444716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.444716 (E_RNA)
where:
Base-Base interactions energy: -48.376
where: short stacking energy: -37.983
Base-Backbone interact. energy: -0.547
local terms energy: -50.522076
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -161.865830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.865830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.865830 (E_RNA)
where:
Base-Base interactions energy: -107.434
where: short stacking energy: -53.123
Base-Backbone interact. energy: 1.890
local terms energy: -56.321993
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -159.865553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.865553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.865553 (E_RNA)
where:
Base-Base interactions energy: -96.791
where: short stacking energy: -47.775
Base-Backbone interact. energy: -0.258
local terms energy: -62.816556
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -11.885
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: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.695682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.695682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.695682 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.093
local terms energy: -56.129168
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -271.376629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.376629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.376629 (E_RNA)
where:
Base-Base interactions energy: -186.038
where: short stacking energy: -79.538
Base-Backbone interact. energy: -0.599
local terms energy: -84.739791
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -23.259
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: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -239.081002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.081002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.081002 (E_RNA)
where:
Base-Base interactions energy: -171.609
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.114
local terms energy: -67.357990
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -260.175907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.175907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.175907 (E_RNA)
where:
Base-Base interactions energy: -184.889
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.865
local terms energy: -74.421260
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -227.556561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.556561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.556561 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.176
local terms energy: -75.521888
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -209.958221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.958221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958221 (E_RNA)
where:
Base-Base interactions energy: -144.152
where: short stacking energy: -68.794
Base-Backbone interact. energy: -0.424
local terms energy: -65.382398
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -14.802
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: 119
Temperature: 1.150000
Total energy: -225.145077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.145077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.145077 (E_RNA)
where:
Base-Base interactions energy: -150.862
where: short stacking energy: -64.547
Base-Backbone interact. energy: -1.191
local terms energy: -73.092203
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -87.543288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.543288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.543288 (E_RNA)
where:
Base-Base interactions energy: -38.331
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.124
local terms energy: -49.088274
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -198.394287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.394287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.394287 (E_RNA)
where:
Base-Base interactions energy: -136.004
where: short stacking energy: -46.436
Base-Backbone interact. energy: -0.322
local terms energy: -62.068359
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -142.526397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.526397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.526397 (E_RNA)
where:
Base-Base interactions energy: -91.053
where: short stacking energy: -43.076
Base-Backbone interact. energy: -0.027
local terms energy: -51.446218
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -92.231887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.231887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.231887 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.002
local terms energy: -54.089217
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -8.551
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -268.554334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.554334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.554334 (E_RNA)
where:
Base-Base interactions energy: -186.322
where: short stacking energy: -74.161
Base-Backbone interact. energy: -0.296
local terms energy: -81.936350
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -21.405
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: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -242.087148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.087148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.087148 (E_RNA)
where:
Base-Base interactions energy: -168.159
where: short stacking energy: -72.828
Base-Backbone interact. energy: -0.343
local terms energy: -73.585703
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -18.389
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: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -260.039429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.039429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.039429 (E_RNA)
where:
Base-Base interactions energy: -188.382
where: short stacking energy: -72.167
Base-Backbone interact. energy: -0.003
local terms energy: -71.653918
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -18.803
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: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -235.697040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.697040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.697040 (E_RNA)
where:
Base-Base interactions energy: -165.266
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.220
local terms energy: -70.210654
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -222.872750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.872750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.872750 (E_RNA)
where:
Base-Base interactions energy: -147.702
where: short stacking energy: -64.354
Base-Backbone interact. energy: -1.714
local terms energy: -73.456653
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -206.815663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.815663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.815663 (E_RNA)
where:
Base-Base interactions energy: -142.616
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.217
local terms energy: -63.982171
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -187.718596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.718596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.718596 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.346
local terms energy: -58.247027
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -6.665
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: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -150.093093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.093093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.093093 (E_RNA)
where:
Base-Base interactions energy: -89.719
where: short stacking energy: -47.694
Base-Backbone interact. energy: -0.311
local terms energy: -60.063151
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -143.934972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.934972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.934972 (E_RNA)
where:
Base-Base interactions energy: -90.713
where: short stacking energy: -47.805
Base-Backbone interact. energy: -0.019
local terms energy: -53.202116
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -86.963342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.963342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.963342 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.023
local terms energy: -53.845506
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -266.496502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.496502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.496502 (E_RNA)
where:
Base-Base interactions energy: -182.952
where: short stacking energy: -65.725
Base-Backbone interact. energy: -0.602
local terms energy: -82.942805
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -20.507
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -268.507442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.507442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.507442 (E_RNA)
where:
Base-Base interactions energy: -196.279
where: short stacking energy: -77.075
Base-Backbone interact. energy: -0.262
local terms energy: -71.966595
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -228.190848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.190848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.190848 (E_RNA)
where:
Base-Base interactions energy: -157.789
where: short stacking energy: -64.810
Base-Backbone interact. energy: -1.338
local terms energy: -69.063659
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -13.772
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: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -227.718791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.718791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.718791 (E_RNA)
where:
Base-Base interactions energy: -156.578
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.339
local terms energy: -70.801692
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -14.828
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: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -211.894931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.894931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.894931 (E_RNA)
where:
Base-Base interactions energy: -152.092
where: short stacking energy: -54.083
Base-Backbone interact. energy: 0.130
local terms energy: -59.932718
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -197.121446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.121446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.121446 (E_RNA)
where:
Base-Base interactions energy: -132.035
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.017
local terms energy: -65.069098
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -159.066180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.066180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.066180 (E_RNA)
where:
Base-Base interactions energy: -96.424
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.284
local terms energy: -62.358226
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -6.517
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: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -158.535019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.535019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.535019 (E_RNA)
where:
Base-Base interactions energy: -95.919
where: short stacking energy: -52.777
Base-Backbone interact. energy: -0.188
local terms energy: -62.427690
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -157.069041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.069041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.069041 (E_RNA)
where:
Base-Base interactions energy: -98.625
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.066
local terms energy: -58.377932
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -80.353272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.353272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.353272 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -28.718
Base-Backbone interact. energy: -0.146
local terms energy: -45.081010
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -265.877595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.877595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.877595 (E_RNA)
where:
Base-Base interactions energy: -183.861
where: short stacking energy: -72.861
Base-Backbone interact. energy: -0.002
local terms energy: -82.014999
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -267.430803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.430803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.430803 (E_RNA)
where:
Base-Base interactions energy: -185.212
where: short stacking energy: -78.994
Base-Backbone interact. energy: -0.001
local terms energy: -82.218209
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -235.329021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.329021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.329021 (E_RNA)
where:
Base-Base interactions energy: -164.704
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.410
local terms energy: -70.214629
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -16.148
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: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -227.727772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.727772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.727772 (E_RNA)
where:
Base-Base interactions energy: -151.635
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.141
local terms energy: -75.951222
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -212.910290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.910290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.910290 (E_RNA)
where:
Base-Base interactions energy: -140.810
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.663
local terms energy: -71.437079
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -201.717011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.717011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.717011 (E_RNA)
where:
Base-Base interactions energy: -135.888
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.368
local terms energy: -65.461094
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -8.131
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: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -159.609603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.609603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.609603 (E_RNA)
where:
Base-Base interactions energy: -99.319
where: short stacking energy: -52.269
Base-Backbone interact. energy: 0.172
local terms energy: -60.462287
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -9.962
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: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -163.676904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.676904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.676904 (E_RNA)
where:
Base-Base interactions energy: -97.580
where: short stacking energy: -50.525
Base-Backbone interact. energy: -0.702
local terms energy: -65.394794
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -152.899325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.899325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.899325 (E_RNA)
where:
Base-Base interactions energy: -93.324
where: short stacking energy: -49.416
Base-Backbone interact. energy: -0.238
local terms energy: -59.337649
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -79.983625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.983625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.983625 (E_RNA)
where:
Base-Base interactions energy: -28.938
where: short stacking energy: -25.296
Base-Backbone interact. energy: -0.279
local terms energy: -50.766796
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: 0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -272.023884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.023884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.023884 (E_RNA)
where:
Base-Base interactions energy: -187.949
where: short stacking energy: -79.314
Base-Backbone interact. energy: -1.695
local terms energy: -82.380095
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -23.685
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: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -257.896412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.896412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.896412 (E_RNA)
where:
Base-Base interactions energy: -173.741
where: short stacking energy: -73.564
Base-Backbone interact. energy: -0.009
local terms energy: -84.146571
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -246.337232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.337232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.337232 (E_RNA)
where:
Base-Base interactions energy: -170.391
where: short stacking energy: -69.015
Base-Backbone interact. energy: 0.395
local terms energy: -76.341769
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -18.903
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -223.065790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.065790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.065790 (E_RNA)
where:
Base-Base interactions energy: -146.246
where: short stacking energy: -55.088
Base-Backbone interact. energy: -0.191
local terms energy: -76.628842
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -13.774
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: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -212.492178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.492178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.492178 (E_RNA)
where:
Base-Base interactions energy: -150.404
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.146
local terms energy: -61.942339
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -209.302173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.302173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.302173 (E_RNA)
where:
Base-Base interactions energy: -146.719
where: short stacking energy: -54.325
Base-Backbone interact. energy: -0.272
local terms energy: -62.311771
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -164.980006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.980006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.980006 (E_RNA)
where:
Base-Base interactions energy: -96.729
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.216
local terms energy: -68.035557
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -160.574688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.574688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.574688 (E_RNA)
where:
Base-Base interactions energy: -95.699
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.329
local terms energy: -64.547215
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -149.949864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.949864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.949864 (E_RNA)
where:
Base-Base interactions energy: -93.210
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.078
local terms energy: -56.661470
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -81.828494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.828494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.828494 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.120
local terms energy: -44.765103
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -268.188644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.188644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.188644 (E_RNA)
where:
Base-Base interactions energy: -181.906
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.041
local terms energy: -86.241208
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -257.484862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.484862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.484862 (E_RNA)
where:
Base-Base interactions energy: -177.895
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.027
local terms energy: -79.561971
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -225.830001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.830001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.830001 (E_RNA)
where:
Base-Base interactions energy: -159.303
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.188
local terms energy: -66.338643
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -224.313491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.313491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.313491 (E_RNA)
where:
Base-Base interactions energy: -151.305
where: short stacking energy: -60.608
Base-Backbone interact. energy: -0.188
local terms energy: -72.819922
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -215.880773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.880773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.880773 (E_RNA)
where:
Base-Base interactions energy: -157.833
where: short stacking energy: -53.077
Base-Backbone interact. energy: -0.833
local terms energy: -57.215510
where:
bonds (distance) C4'-P energy: -8.061
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -13.508
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -210.624921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.624921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.624921 (E_RNA)
where:
Base-Base interactions energy: -139.551
where: short stacking energy: -51.760
Base-Backbone interact. energy: -1.428
local terms energy: -69.645323
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -12.269
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: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -171.456716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.456716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.456716 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.167
local terms energy: -65.116532
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -10.813
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: 124
Temperature: 1.250000
Total energy: -169.646370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.646370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.646370 (E_RNA)
where:
Base-Base interactions energy: -103.324
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.157
local terms energy: -66.165259
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -152.096868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.096868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.096868 (E_RNA)
where:
Base-Base interactions energy: -94.509
where: short stacking energy: -51.667
Base-Backbone interact. energy: -0.127
local terms energy: -57.460472
where:
bonds (distance) C4'-P energy: -2.802
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -76.720010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.720010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.720010 (E_RNA)
where:
Base-Base interactions energy: -26.780
where: short stacking energy: -24.117
Base-Backbone interact. energy: -0.118
local terms energy: -49.821263
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -6.189
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -271.670955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.670955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.670955 (E_RNA)
where:
Base-Base interactions energy: -182.408
where: short stacking energy: -77.506
Base-Backbone interact. energy: -0.629
local terms energy: -88.634154
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -23.161
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: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -224.082685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.082685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.082685 (E_RNA)
where:
Base-Base interactions energy: -150.878
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.944
local terms energy: -72.260028
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -15.719
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: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -257.206818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.206818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.206818 (E_RNA)
where:
Base-Base interactions energy: -184.290
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.129
local terms energy: -72.787561
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -20.413
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: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -237.663631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.663631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.663631 (E_RNA)
where:
Base-Base interactions energy: -161.383
where: short stacking energy: -63.728
Base-Backbone interact. energy: -0.951
local terms energy: -75.329801
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -215.876076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.876076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.876076 (E_RNA)
where:
Base-Base interactions energy: -147.434
where: short stacking energy: -50.366
Base-Backbone interact. energy: -0.735
local terms energy: -67.706987
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -213.663057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.663057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.663057 (E_RNA)
where:
Base-Base interactions energy: -143.371
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.802
local terms energy: -69.490478
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -10.962
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: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -160.464771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.464771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.464771 (E_RNA)
where:
Base-Base interactions energy: -101.390
where: short stacking energy: -52.748
Base-Backbone interact. energy: -0.076
local terms energy: -58.998263
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.116
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: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -159.007616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.007616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.007616 (E_RNA)
where:
Base-Base interactions energy: -104.639
where: short stacking energy: -48.999
Base-Backbone interact. energy: -1.141
local terms energy: -53.228084
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -9.328
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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -147.548417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.548417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.548417 (E_RNA)
where:
Base-Base interactions energy: -91.470
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.807
local terms energy: -55.271126
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -11.435
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: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -87.105170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.105170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.105170 (E_RNA)
where:
Base-Base interactions energy: -33.062
where: short stacking energy: -33.062
Base-Backbone interact. energy: -1.084
local terms energy: -52.959250
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -273.581536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.581536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.581536 (E_RNA)
where:
Base-Base interactions energy: -192.149
where: short stacking energy: -78.648
Base-Backbone interact. energy: -1.535
local terms energy: -79.897442
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -228.432530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.432530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.432530 (E_RNA)
where:
Base-Base interactions energy: -155.957
where: short stacking energy: -64.201
Base-Backbone interact. energy: -1.093
local terms energy: -71.382511
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -253.119842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.119842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.119842 (E_RNA)
where:
Base-Base interactions energy: -179.140
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.022
local terms energy: -73.958368
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -219.576357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.576357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.576357 (E_RNA)
where:
Base-Base interactions energy: -154.737
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.638
local terms energy: -64.201111
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -212.871031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.871031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.871031 (E_RNA)
where:
Base-Base interactions energy: -144.573
where: short stacking energy: -55.762
Base-Backbone interact. energy: 0.965
local terms energy: -69.263495
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -10.596
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: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -204.248087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.248087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.248087 (E_RNA)
where:
Base-Base interactions energy: -134.434
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.240
local terms energy: -69.573807
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -15.818
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -157.749128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.749128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.749128 (E_RNA)
where:
Base-Base interactions energy: -94.533
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.307
local terms energy: -62.908245
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -7.983
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: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -152.147277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.147277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.147277 (E_RNA)
where:
Base-Base interactions energy: -92.163
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.102
local terms energy: -59.883132
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -147.877985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.877985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.877985 (E_RNA)
where:
Base-Base interactions energy: -94.747
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.571
local terms energy: -52.560044
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -78.705648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.705648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.705648 (E_RNA)
where:
Base-Base interactions energy: -24.739
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.224
local terms energy: -53.742436
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -267.827197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.827197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.827197 (E_RNA)
where:
Base-Base interactions energy: -178.580
where: short stacking energy: -77.350
Base-Backbone interact. energy: -1.139
local terms energy: -88.108069
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -263.873765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.873765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.873765 (E_RNA)
where:
Base-Base interactions energy: -180.266
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.011
local terms energy: -83.596859
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -239.505162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.505162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.505162 (E_RNA)
where:
Base-Base interactions energy: -162.887
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.789
local terms energy: -75.829692
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -12.228
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: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -229.107983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.107983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.107983 (E_RNA)
where:
Base-Base interactions energy: -162.290
where: short stacking energy: -66.521
Base-Backbone interact. energy: -0.265
local terms energy: -66.552912
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -11.336
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: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -230.378995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.378995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.378995 (E_RNA)
where:
Base-Base interactions energy: -156.004
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.376
local terms energy: -73.999151
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -167.045860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.045860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.045860 (E_RNA)
where:
Base-Base interactions energy: -103.742
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.020
local terms energy: -63.283862
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -13.086
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: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -203.562338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.562338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.562338 (E_RNA)
where:
Base-Base interactions energy: -133.782
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.276
local terms energy: -69.504610
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -159.862465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.862465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.862465 (E_RNA)
where:
Base-Base interactions energy: -101.514
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.510
local terms energy: -57.838416
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -6.764
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: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -152.532993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.532993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.532993 (E_RNA)
where:
Base-Base interactions energy: -95.185
where: short stacking energy: -48.757
Base-Backbone interact. energy: -0.298
local terms energy: -57.049697
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -87.722368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722368 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -32.254
Base-Backbone interact. energy: 1.501
local terms energy: -56.969438
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -265.848813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.848813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.848813 (E_RNA)
where:
Base-Base interactions energy: -189.117
where: short stacking energy: -77.038
Base-Backbone interact. energy: -0.148
local terms energy: -76.583811
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -272.523768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.523768 (E_RNA)
where:
Base-Base interactions energy: -198.120
where: short stacking energy: -77.533
Base-Backbone interact. energy: -0.006
local terms energy: -74.397437
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -23.174
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: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -230.612348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.612348 (E_RNA)
where:
Base-Base interactions energy: -158.587
where: short stacking energy: -63.716
Base-Backbone interact. energy: -0.346
local terms energy: -71.678951
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -233.287048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.287048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.287048 (E_RNA)
where:
Base-Base interactions energy: -164.490
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.407
local terms energy: -68.390397
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -16.709
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -234.879178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.879178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.879178 (E_RNA)
where:
Base-Base interactions energy: -161.508
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.528
local terms energy: -72.843396
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -157.467277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.467277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.467277 (E_RNA)
where:
Base-Base interactions energy: -92.930
where: short stacking energy: -45.791
Base-Backbone interact. energy: -2.623
local terms energy: -61.915037
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -193.736073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.736073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.736073 (E_RNA)
where:
Base-Base interactions energy: -138.467
where: short stacking energy: -48.983
Base-Backbone interact. energy: -0.342
local terms energy: -54.926521
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -164.263683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.263683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.263683 (E_RNA)
where:
Base-Base interactions energy: -96.344
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.612
local terms energy: -67.307360
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -161.454358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.454358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.454358 (E_RNA)
where:
Base-Base interactions energy: -100.274
where: short stacking energy: -56.735
Base-Backbone interact. energy: -0.150
local terms energy: -61.029974
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -98.328514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.328514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.328514 (E_RNA)
where:
Base-Base interactions energy: -45.567
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.225
local terms energy: -52.536277
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -276.012427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.012427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.012427 (E_RNA)
where:
Base-Base interactions energy: -187.291
where: short stacking energy: -78.940
Base-Backbone interact. energy: -0.904
local terms energy: -87.817863
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -23.776
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: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -241.275848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.275848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.275848 (E_RNA)
where:
Base-Base interactions energy: -164.362
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.332
local terms energy: -76.582170
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -16.187
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: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -264.289920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.289920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.289920 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -78.027
Base-Backbone interact. energy: -0.589
local terms energy: -78.942686
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -227.592265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592265 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -61.775
Base-Backbone interact. energy: -0.147
local terms energy: -71.876263
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -211.401055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.401055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.401055 (E_RNA)
where:
Base-Base interactions energy: -146.905
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.268
local terms energy: -64.228096
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -182.065989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.065989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.065989 (E_RNA)
where:
Base-Base interactions energy: -108.795
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.051
local terms energy: -73.220256
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -16.183
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -155.824556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.824556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.824556 (E_RNA)
where:
Base-Base interactions energy: -95.032
where: short stacking energy: -43.603
Base-Backbone interact. energy: -0.611
local terms energy: -60.181400
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -148.615352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.615352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.615352 (E_RNA)
where:
Base-Base interactions energy: -96.143
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.061
local terms energy: -52.411494
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.725
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: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -159.146893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.146893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.146893 (E_RNA)
where:
Base-Base interactions energy: -93.225
where: short stacking energy: -47.992
Base-Backbone interact. energy: -0.132
local terms energy: -65.790102
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -73.914302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.914302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.914302 (E_RNA)
where:
Base-Base interactions energy: -21.850
where: short stacking energy: -14.698
Base-Backbone interact. energy: -0.367
local terms energy: -51.697267
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: 1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -267.214227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.214227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.214227 (E_RNA)
where:
Base-Base interactions energy: -183.841
where: short stacking energy: -65.751
Base-Backbone interact. energy: -0.149
local terms energy: -83.224517
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -239.842428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.842428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.842428 (E_RNA)
where:
Base-Base interactions energy: -166.352
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.157
local terms energy: -73.333165
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -263.817468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.817468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.817468 (E_RNA)
where:
Base-Base interactions energy: -190.582
where: short stacking energy: -71.278
Base-Backbone interact. energy: -0.278
local terms energy: -72.957064
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -218.986313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.986313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.986313 (E_RNA)
where:
Base-Base interactions energy: -151.171
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.210
local terms energy: -67.605381
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -10.573
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: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -222.961612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.961612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.961612 (E_RNA)
where:
Base-Base interactions energy: -151.922
where: short stacking energy: -66.300
Base-Backbone interact. energy: 0.381
local terms energy: -71.419844
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -16.259
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: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -168.960472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.960472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.960472 (E_RNA)
where:
Base-Base interactions energy: -104.563
where: short stacking energy: -55.528
Base-Backbone interact. energy: -0.242
local terms energy: -64.155814
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -167.000504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.000504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.000504 (E_RNA)
where:
Base-Base interactions energy: -106.673
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.058
local terms energy: -60.269270
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -154.543652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.543652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.543652 (E_RNA)
where:
Base-Base interactions energy: -101.255
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.408
local terms energy: -52.880886
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -6.913
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.773
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: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -90.067191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.067191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.067191 (E_RNA)
where:
Base-Base interactions energy: -39.163
where: short stacking energy: -27.419
Base-Backbone interact. energy: 0.070
local terms energy: -50.973960
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -78.731711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.731711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.731711 (E_RNA)
where:
Base-Base interactions energy: -25.625
where: short stacking energy: -21.389
Base-Backbone interact. energy: -0.109
local terms energy: -52.997651
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -269.843891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.843891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.843891 (E_RNA)
where:
Base-Base interactions energy: -188.610
where: short stacking energy: -76.763
Base-Backbone interact. energy: -1.159
local terms energy: -80.075078
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -257.016879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.016879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.016879 (E_RNA)
where:
Base-Base interactions energy: -182.763
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.441
local terms energy: -73.812102
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -15.306
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: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -230.288948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288948 (E_RNA)
where:
Base-Base interactions energy: -152.899
where: short stacking energy: -67.924
Base-Backbone interact. energy: -0.402
local terms energy: -76.988054
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -13.458
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: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -222.831034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.831034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.831034 (E_RNA)
where:
Base-Base interactions energy: -158.273
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.571
local terms energy: -63.986446
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -13.685
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: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -227.032125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.032125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.032125 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.082
local terms energy: -71.283444
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -16.099
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -162.351885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.351885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.351885 (E_RNA)
where:
Base-Base interactions energy: -101.644
where: short stacking energy: -56.989
Base-Backbone interact. energy: 0.519
local terms energy: -61.226920
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -160.525643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.525643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.525643 (E_RNA)
where:
Base-Base interactions energy: -99.651
where: short stacking energy: -47.755
Base-Backbone interact. energy: -0.416
local terms energy: -60.458633
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -109.859404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.859404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.859404 (E_RNA)
where:
Base-Base interactions energy: -64.364
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.157
local terms energy: -45.338227
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -3.530
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: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -159.532664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.532664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.532664 (E_RNA)
where:
Base-Base interactions energy: -99.306
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.027
local terms energy: -60.200296
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -80.478053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.478053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.478053 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.351
local terms energy: -50.093941
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -7.107
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -267.717154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.717154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.717154 (E_RNA)
where:
Base-Base interactions energy: -192.055
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.137
local terms energy: -75.525130
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -17.086
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: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -270.006756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.006756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.006756 (E_RNA)
where:
Base-Base interactions energy: -186.769
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.311
local terms energy: -82.927258
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -20.389
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: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -240.122695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.122695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.122695 (E_RNA)
where:
Base-Base interactions energy: -168.724
where: short stacking energy: -66.507
Base-Backbone interact. energy: -0.283
local terms energy: -71.115253
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -226.108288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.108288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.108288 (E_RNA)
where:
Base-Base interactions energy: -148.662
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.108
local terms energy: -77.338529
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.050
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: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -220.477291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.477291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.477291 (E_RNA)
where:
Base-Base interactions energy: -159.286
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.483
local terms energy: -60.707897
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -172.435459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.435459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.435459 (E_RNA)
where:
Base-Base interactions energy: -106.100
where: short stacking energy: -54.548
Base-Backbone interact. energy: 0.277
local terms energy: -66.612133
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -169.704505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.704505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.704505 (E_RNA)
where:
Base-Base interactions energy: -106.891
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.069
local terms energy: -62.745204
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -92.029209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.029209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.029209 (E_RNA)
where:
Base-Base interactions energy: -52.365
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.163
local terms energy: -39.501086
where:
bonds (distance) C4'-P energy: -5.502
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -156.750811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.750811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.750811 (E_RNA)
where:
Base-Base interactions energy: -101.409
where: short stacking energy: -50.947
Base-Backbone interact. energy: 1.509
local terms energy: -56.850905
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -5.726
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -10.607
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: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -76.008694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.008694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.008694 (E_RNA)
where:
Base-Base interactions energy: -25.730
where: short stacking energy: -18.113
Base-Backbone interact. energy: 0.195
local terms energy: -50.473506
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -7.349
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -263.757869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.757869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.757869 (E_RNA)
where:
Base-Base interactions energy: -188.055
where: short stacking energy: -75.344
Base-Backbone interact. energy: -0.420
local terms energy: -75.282340
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -272.596385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.596385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.596385 (E_RNA)
where:
Base-Base interactions energy: -188.947
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.064
local terms energy: -83.586092
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -225.056004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.056004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.056004 (E_RNA)
where:
Base-Base interactions energy: -157.608
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.567
local terms energy: -66.880516
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -216.187745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.187745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.187745 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.672
local terms energy: -64.515234
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -10.103
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: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -224.148599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.148599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.148599 (E_RNA)
where:
Base-Base interactions energy: -149.540
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.090
local terms energy: -74.518910
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -17.066
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: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -160.696752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.696752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.696752 (E_RNA)
where:
Base-Base interactions energy: -102.416
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.229
local terms energy: -58.051638
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -167.800026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.800026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.800026 (E_RNA)
where:
Base-Base interactions energy: -107.198
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.087
local terms energy: -60.515849
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -170.004010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.004010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.004010 (E_RNA)
where:
Base-Base interactions energy: -105.490
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.001
local terms energy: -64.513815
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -12.291
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: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -117.478116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.478116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.478116 (E_RNA)
where:
Base-Base interactions energy: -63.935
where: short stacking energy: -29.056
Base-Backbone interact. energy: -1.216
local terms energy: -52.326919
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -7.926
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: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -88.672561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.672561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.672561 (E_RNA)
where:
Base-Base interactions energy: -51.916
where: short stacking energy: -22.000
Base-Backbone interact. energy: -1.283
local terms energy: -35.473814
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -8.499
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: 5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -275.881884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.881884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.881884 (E_RNA)
where:
Base-Base interactions energy: -202.125
where: short stacking energy: -77.773
Base-Backbone interact. energy: -0.344
local terms energy: -73.412930
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -266.830497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.830497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.830497 (E_RNA)
where:
Base-Base interactions energy: -194.745
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.163
local terms energy: -71.922531
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -15.752
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: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -229.589277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.589277 (E_RNA)
where:
Base-Base interactions energy: -152.189
where: short stacking energy: -70.607
Base-Backbone interact. energy: -0.439
local terms energy: -76.961239
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -17.327
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: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -224.022208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.022208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.022208 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -58.413
Base-Backbone interact. energy: 0.382
local terms energy: -66.489329
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -227.029514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.029514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029514 (E_RNA)
where:
Base-Base interactions energy: -160.565
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.969
local terms energy: -65.494978
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -168.969667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.969667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.969667 (E_RNA)
where:
Base-Base interactions energy: -101.312
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.262
local terms energy: -67.395684
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -8.805
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: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -182.397987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.397987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.397987 (E_RNA)
where:
Base-Base interactions energy: -110.970
where: short stacking energy: -64.540
Base-Backbone interact. energy: -0.061
local terms energy: -71.366952
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -18.610
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: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -156.802756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.802756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.802756 (E_RNA)
where:
Base-Base interactions energy: -96.448
where: short stacking energy: -45.701
Base-Backbone interact. energy: 1.088
local terms energy: -61.442544
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -86.388419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.388419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.388419 (E_RNA)
where:
Base-Base interactions energy: -39.364
where: short stacking energy: -37.654
Base-Backbone interact. energy: -0.114
local terms energy: -46.910546
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -4.170
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -85.611611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.611611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.611611 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -27.107
Base-Backbone interact. energy: -0.206
local terms energy: -56.609360
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -273.712995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.712995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.712995 (E_RNA)
where:
Base-Base interactions energy: -194.430
where: short stacking energy: -74.781
Base-Backbone interact. energy: -0.012
local terms energy: -79.271311
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -21.856
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -246.500781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.500781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.500781 (E_RNA)
where:
Base-Base interactions energy: -173.322
where: short stacking energy: -67.045
Base-Backbone interact. energy: 1.901
local terms energy: -75.080370
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -266.478588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.478588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.478588 (E_RNA)
where:
Base-Base interactions energy: -195.075
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.015
local terms energy: -71.388469
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -221.281681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.281681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.281681 (E_RNA)
where:
Base-Base interactions energy: -152.330
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.848
local terms energy: -68.103761
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -12.665
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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -206.251114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.251114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.251114 (E_RNA)
where:
Base-Base interactions energy: -136.559
where: short stacking energy: -61.685
Base-Backbone interact. energy: -1.402
local terms energy: -68.289807
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -175.075650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075650 (E_RNA)
where:
Base-Base interactions energy: -100.710
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.084
local terms energy: -74.280930
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -163.445372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.445372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.445372 (E_RNA)
where:
Base-Base interactions energy: -101.312
where: short stacking energy: -52.516
Base-Backbone interact. energy: -0.507
local terms energy: -61.626256
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -10.820
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: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -160.383577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.383577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.383577 (E_RNA)
where:
Base-Base interactions energy: -100.699
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.056
local terms energy: -59.628631
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -100.012085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.012085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.012085 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -17.060
Base-Backbone interact. energy: 0.005
local terms energy: -57.675235
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -4.038
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: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -82.335195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335195 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -27.700
Base-Backbone interact. energy: -3.686
local terms energy: -44.357014
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -269.069450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.069450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.069450 (E_RNA)
where:
Base-Base interactions energy: -187.820
where: short stacking energy: -79.867
Base-Backbone interact. energy: -0.197
local terms energy: -81.051721
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -22.694
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: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -231.760861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.760861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.760861 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.473
local terms energy: -76.791788
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -17.685
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: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -232.983854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.983854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.983854 (E_RNA)
where:
Base-Base interactions energy: -155.485
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.162
local terms energy: -77.336498
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -17.524
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -251.963259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.963259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.963259 (E_RNA)
where:
Base-Base interactions energy: -180.731
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.254
local terms energy: -70.977553
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -225.059101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.059101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.059101 (E_RNA)
where:
Base-Base interactions energy: -160.831
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.092
local terms energy: -64.136598
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -17.711
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: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -181.861526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.861526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.861526 (E_RNA)
where:
Base-Base interactions energy: -116.279
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.121
local terms energy: -65.461618
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -163.127916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.127916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.127916 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -46.099
Base-Backbone interact. energy: -0.043
local terms energy: -70.575658
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -12.916
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)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -174.040708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.040708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.040708 (E_RNA)
where:
Base-Base interactions energy: -115.849
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.332
local terms energy: -57.859931
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -7.207
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -131.819345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.819345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.819345 (E_RNA)
where:
Base-Base interactions energy: -72.841
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.016
local terms energy: -58.962112
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -6.851
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -96.032731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.032731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.032731 (E_RNA)
where:
Base-Base interactions energy: -42.393
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.050
local terms energy: -53.589621
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -270.927430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.927430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.927430 (E_RNA)
where:
Base-Base interactions energy: -198.505
where: short stacking energy: -71.565
Base-Backbone interact. energy: -0.388
local terms energy: -72.034101
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -232.021447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.021447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.021447 (E_RNA)
where:
Base-Base interactions energy: -158.138
where: short stacking energy: -72.682
Base-Backbone interact. energy: -1.303
local terms energy: -72.580177
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -228.967288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.967288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.967288 (E_RNA)
where:
Base-Base interactions energy: -154.326
where: short stacking energy: -70.552
Base-Backbone interact. energy: -0.369
local terms energy: -74.271928
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -9.429
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: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -255.508241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.508241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.508241 (E_RNA)
where:
Base-Base interactions energy: -181.406
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.939
local terms energy: -73.163608
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -18.545
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -222.339632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.339632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.339632 (E_RNA)
where:
Base-Base interactions energy: -149.268
where: short stacking energy: -63.600
Base-Backbone interact. energy: 0.999
local terms energy: -74.070208
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -171.299265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.299265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.299265 (E_RNA)
where:
Base-Base interactions energy: -111.401
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.686
local terms energy: -59.211934
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -170.744154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.744154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.744154 (E_RNA)
where:
Base-Base interactions energy: -103.278
where: short stacking energy: -50.142
Base-Backbone interact. energy: -0.050
local terms energy: -67.416155
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -10.791
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: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -159.587944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.587944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.587944 (E_RNA)
where:
Base-Base interactions energy: -99.910
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.028
local terms energy: -59.649221
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -164.701300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.701300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.701300 (E_RNA)
where:
Base-Base interactions energy: -109.036
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.023
local terms energy: -55.642865
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -77.075014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.075014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.075014 (E_RNA)
where:
Base-Base interactions energy: -28.088
where: short stacking energy: -21.458
Base-Backbone interact. energy: -0.104
local terms energy: -48.882550
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -277.874987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.874987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.874987 (E_RNA)
where:
Base-Base interactions energy: -203.373
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.130
local terms energy: -74.372913
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -240.965201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.965201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.965201 (E_RNA)
where:
Base-Base interactions energy: -169.420
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.485
local terms energy: -71.060114
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -258.673085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.673085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.673085 (E_RNA)
where:
Base-Base interactions energy: -173.239
where: short stacking energy: -70.291
Base-Backbone interact. energy: -0.002
local terms energy: -85.431950
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -222.268602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.268602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.268602 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -68.839
Base-Backbone interact. energy: -0.206
local terms energy: -71.703502
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.781
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: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -177.972641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.972641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.972641 (E_RNA)
where:
Base-Base interactions energy: -110.952
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.009
local terms energy: -67.011861
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -210.146708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.146708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.146708 (E_RNA)
where:
Base-Base interactions energy: -134.712
where: short stacking energy: -49.401
Base-Backbone interact. energy: -1.007
local terms energy: -74.428181
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -12.679
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: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -170.688592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.688592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.688592 (E_RNA)
where:
Base-Base interactions energy: -99.231
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.315
local terms energy: -71.142787
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -148.929054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.929054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.929054 (E_RNA)
where:
Base-Base interactions energy: -97.038
where: short stacking energy: -48.881
Base-Backbone interact. energy: -0.214
local terms energy: -51.676748
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.494
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: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -160.712539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.712539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.712539 (E_RNA)
where:
Base-Base interactions energy: -97.703
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.354
local terms energy: -62.655425
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -70.121398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.121398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.121398 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -17.749
Base-Backbone interact. energy: 0.325
local terms energy: -43.513780
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -270.133335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.133335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.133335 (E_RNA)
where:
Base-Base interactions energy: -182.944
where: short stacking energy: -80.712
Base-Backbone interact. energy: -0.949
local terms energy: -86.240847
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -22.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -260.963874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.963874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.963874 (E_RNA)
where:
Base-Base interactions energy: -181.252
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.482
local terms energy: -79.229394
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -240.844287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.844287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.844287 (E_RNA)
where:
Base-Base interactions energy: -170.365
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.671
local terms energy: -69.808227
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -229.398102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.398102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.398102 (E_RNA)
where:
Base-Base interactions energy: -156.189
where: short stacking energy: -72.476
Base-Backbone interact. energy: -0.336
local terms energy: -72.873127
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -16.511
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: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -188.613759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.613759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.613759 (E_RNA)
where:
Base-Base interactions energy: -120.265
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.076
local terms energy: -68.272307
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -14.635
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: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -225.574789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.574789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.574789 (E_RNA)
where:
Base-Base interactions energy: -158.117
where: short stacking energy: -69.768
Base-Backbone interact. energy: -0.091
local terms energy: -67.366155
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -162.845199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.845199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.845199 (E_RNA)
where:
Base-Base interactions energy: -99.661
where: short stacking energy: -45.113
Base-Backbone interact. energy: -0.176
local terms energy: -63.008600
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -6.157
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: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -162.051633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.051633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.051633 (E_RNA)
where:
Base-Base interactions energy: -97.736
where: short stacking energy: -55.901
Base-Backbone interact. energy: 0.178
local terms energy: -64.493989
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -15.092
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: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -154.943937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.943937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.943937 (E_RNA)
where:
Base-Base interactions energy: -99.796
where: short stacking energy: -45.435
Base-Backbone interact. energy: -0.087
local terms energy: -55.060764
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -7.128
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -85.780239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780239 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.302
local terms energy: -43.343552
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -7.458
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -269.844391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.844391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.844391 (E_RNA)
where:
Base-Base interactions energy: -188.181
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.951
local terms energy: -80.712364
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -261.636634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.636634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.636634 (E_RNA)
where:
Base-Base interactions energy: -177.769
where: short stacking energy: -72.578
Base-Backbone interact. energy: -0.444
local terms energy: -83.423309
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -216.076218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.076218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.076218 (E_RNA)
where:
Base-Base interactions energy: -151.848
where: short stacking energy: -61.473
Base-Backbone interact. energy: -0.561
local terms energy: -63.666830
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -236.234356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.234356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.234356 (E_RNA)
where:
Base-Base interactions energy: -159.243
where: short stacking energy: -63.890
Base-Backbone interact. energy: -0.430
local terms energy: -76.561608
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -16.434
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: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -217.918948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.918948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.918948 (E_RNA)
where:
Base-Base interactions energy: -143.992
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.402
local terms energy: -73.525168
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -166.849952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.849952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.849952 (E_RNA)
where:
Base-Base interactions energy: -105.334
where: short stacking energy: -49.412
Base-Backbone interact. energy: -0.224
local terms energy: -61.291360
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -176.855791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.855791 (E_RNA)
where:
Base-Base interactions energy: -109.917
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.190
local terms energy: -66.749050
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -155.961390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.961390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.961390 (E_RNA)
where:
Base-Base interactions energy: -95.100
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.528
local terms energy: -60.334166
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -165.139751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.139751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.139751 (E_RNA)
where:
Base-Base interactions energy: -101.635
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.182
local terms energy: -63.323401
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -12.780
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: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -103.522006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.522006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.522006 (E_RNA)
where:
Base-Base interactions energy: -61.923
where: short stacking energy: -32.024
Base-Backbone interact. energy: -0.063
local terms energy: -41.535736
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -270.665316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.665316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.665316 (E_RNA)
where:
Base-Base interactions energy: -183.032
where: short stacking energy: -77.126
Base-Backbone interact. energy: -1.511
local terms energy: -86.122548
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -268.672990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.672990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.672990 (E_RNA)
where:
Base-Base interactions energy: -187.464
where: short stacking energy: -72.778
Base-Backbone interact. energy: -2.245
local terms energy: -78.964640
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -222.257049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.257049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.257049 (E_RNA)
where:
Base-Base interactions energy: -149.008
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.119
local terms energy: -73.130685
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -15.581
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: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -235.138822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.138822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.138822 (E_RNA)
where:
Base-Base interactions energy: -162.701
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.159
local terms energy: -72.278206
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -240.964009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.964009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.964009 (E_RNA)
where:
Base-Base interactions energy: -161.744
where: short stacking energy: -68.239
Base-Backbone interact. energy: -1.532
local terms energy: -77.687879
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -17.413
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: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -165.450632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.450632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.450632 (E_RNA)
where:
Base-Base interactions energy: -99.757
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.006
local terms energy: -65.688371
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -166.866024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.866024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.866024 (E_RNA)
where:
Base-Base interactions energy: -106.321
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.065
local terms energy: -60.480240
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -153.602307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.602307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.602307 (E_RNA)
where:
Base-Base interactions energy: -89.793
where: short stacking energy: -49.839
Base-Backbone interact. energy: -0.487
local terms energy: -63.322848
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -144.664420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.664420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.664420 (E_RNA)
where:
Base-Base interactions energy: -85.583
where: short stacking energy: -40.015
Base-Backbone interact. energy: -0.226
local terms energy: -58.855431
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -91.043196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.043196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.043196 (E_RNA)
where:
Base-Base interactions energy: -38.560
where: short stacking energy: -34.133
Base-Backbone interact. energy: 3.434
local terms energy: -55.916575
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -269.885924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.885924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.885924 (E_RNA)
where:
Base-Base interactions energy: -187.945
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.002
local terms energy: -81.938770
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -265.072435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.072435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.072435 (E_RNA)
where:
Base-Base interactions energy: -189.110
where: short stacking energy: -77.415
Base-Backbone interact. energy: -1.198
local terms energy: -74.764794
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -239.252372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.252372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.252372 (E_RNA)
where:
Base-Base interactions energy: -162.801
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.355
local terms energy: -76.096720
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -17.479
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: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -224.551368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.551368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.551368 (E_RNA)
where:
Base-Base interactions energy: -157.081
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.422
local terms energy: -67.048455
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -229.242052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.242052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.242052 (E_RNA)
where:
Base-Base interactions energy: -160.642
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.422
local terms energy: -68.177403
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -162.517006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.517006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.517006 (E_RNA)
where:
Base-Base interactions energy: -102.635
where: short stacking energy: -53.715
Base-Backbone interact. energy: 0.664
local terms energy: -60.546903
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -12.488
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: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -158.555223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.555223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.555223 (E_RNA)
where:
Base-Base interactions energy: -95.252
where: short stacking energy: -42.784
Base-Backbone interact. energy: -0.149
local terms energy: -63.153841
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -162.174010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.174010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.174010 (E_RNA)
where:
Base-Base interactions energy: -97.513
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.098
local terms energy: -64.562763
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -155.618342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.618342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.618342 (E_RNA)
where:
Base-Base interactions energy: -97.857
where: short stacking energy: -54.603
Base-Backbone interact. energy: -0.096
local terms energy: -57.666162
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -97.241093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.241093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.241093 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -37.896
Base-Backbone interact. energy: -0.032
local terms energy: -56.096904
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -268.706523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.706523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.706523 (E_RNA)
where:
Base-Base interactions energy: -185.008
where: short stacking energy: -78.626
Base-Backbone interact. energy: -1.530
local terms energy: -82.168592
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -21.143
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: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -260.509966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.509966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.509966 (E_RNA)
where:
Base-Base interactions energy: -179.212
where: short stacking energy: -74.001
Base-Backbone interact. energy: 0.178
local terms energy: -81.476189
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -21.333
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: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -216.430974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.430974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.430974 (E_RNA)
where:
Base-Base interactions energy: -146.184
where: short stacking energy: -59.978
Base-Backbone interact. energy: 0.674
local terms energy: -70.920649
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -230.682051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.682051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.682051 (E_RNA)
where:
Base-Base interactions energy: -157.234
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.881
local terms energy: -72.567864
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -15.247
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: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -211.560859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.560859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.560859 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.274
local terms energy: -63.825394
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -167.091072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.091072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.091072 (E_RNA)
where:
Base-Base interactions energy: -104.925
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.092
local terms energy: -62.074178
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -159.020947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020947 (E_RNA)
where:
Base-Base interactions energy: -104.477
where: short stacking energy: -43.796
Base-Backbone interact. energy: -0.259
local terms energy: -54.284797
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -161.827764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.827764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.827764 (E_RNA)
where:
Base-Base interactions energy: -95.783
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.020
local terms energy: -66.024913
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.162
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: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -144.068328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.068328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.068328 (E_RNA)
where:
Base-Base interactions energy: -93.185
where: short stacking energy: -44.214
Base-Backbone interact. energy: -0.386
local terms energy: -50.497221
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -12.919
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)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.453825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.453825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.453825 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.435
local terms energy: -45.696668
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -264.628668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.628668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.628668 (E_RNA)
where:
Base-Base interactions energy: -182.425
where: short stacking energy: -76.340
Base-Backbone interact. energy: -0.526
local terms energy: -81.678077
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -262.737859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.737859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.737859 (E_RNA)
where:
Base-Base interactions energy: -185.624
where: short stacking energy: -77.918
Base-Backbone interact. energy: -0.974
local terms energy: -76.140244
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -22.255
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: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -240.070701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.070701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.070701 (E_RNA)
where:
Base-Base interactions energy: -169.329
where: short stacking energy: -77.717
Base-Backbone interact. energy: 0.144
local terms energy: -70.886093
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -213.456901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.456901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.456901 (E_RNA)
where:
Base-Base interactions energy: -145.956
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.165
local terms energy: -67.335128
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -13.699
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: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -228.238946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.238946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.238946 (E_RNA)
where:
Base-Base interactions energy: -155.035
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.216
local terms energy: -72.987826
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -17.306
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: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -162.554541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.554541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.554541 (E_RNA)
where:
Base-Base interactions energy: -99.836
where: short stacking energy: -48.711
Base-Backbone interact. energy: -0.374
local terms energy: -62.344550
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -12.593
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: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -162.485853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.485853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.485853 (E_RNA)
where:
Base-Base interactions energy: -104.280
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.103
local terms energy: -58.102583
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -10.532
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: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -150.451083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.451083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.451083 (E_RNA)
where:
Base-Base interactions energy: -98.376
where: short stacking energy: -48.605
Base-Backbone interact. energy: -0.284
local terms energy: -51.790627
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -150.992204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.992204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.992204 (E_RNA)
where:
Base-Base interactions energy: -95.400
where: short stacking energy: -51.157
Base-Backbone interact. energy: -0.132
local terms energy: -55.459821
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -77.079761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.079761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.079761 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.168
local terms energy: -41.931026
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -265.069759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.069759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.069759 (E_RNA)
where:
Base-Base interactions energy: -187.402
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.176
local terms energy: -77.491719
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -19.731
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: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -277.981952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.981952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.981952 (E_RNA)
where:
Base-Base interactions energy: -199.981
where: short stacking energy: -75.212
Base-Backbone interact. energy: -0.009
local terms energy: -77.992106
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -22.535
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: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -228.915358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.915358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.915358 (E_RNA)
where:
Base-Base interactions energy: -156.089
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.588
local terms energy: -72.237898
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -224.638593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.638593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.638593 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.106
local terms energy: -71.998365
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -18.116
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: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -208.935336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.935336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.935336 (E_RNA)
where:
Base-Base interactions energy: -140.410
where: short stacking energy: -60.348
Base-Backbone interact. energy: -0.435
local terms energy: -68.089906
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -167.079402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.079402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.079402 (E_RNA)
where:
Base-Base interactions energy: -102.719
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.209
local terms energy: -64.151258
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -176.667439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.667439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.667439 (E_RNA)
where:
Base-Base interactions energy: -110.979
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.011
local terms energy: -65.677618
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -156.367136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.367136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.367136 (E_RNA)
where:
Base-Base interactions energy: -101.077
where: short stacking energy: -50.495
Base-Backbone interact. energy: -0.203
local terms energy: -55.087383
where:
bonds (distance) C4'-P energy: -3.830
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -146.268181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.268181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.268181 (E_RNA)
where:
Base-Base interactions energy: -95.674
where: short stacking energy: -49.347
Base-Backbone interact. energy: -0.042
local terms energy: -50.551723
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -92.536135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.536135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.536135 (E_RNA)
where:
Base-Base interactions energy: -43.104
where: short stacking energy: -35.984
Base-Backbone interact. energy: -0.121
local terms energy: -49.311475
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -1.636
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: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -285.931454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.931454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.931454 (E_RNA)
where:
Base-Base interactions energy: -211.747
where: short stacking energy: -78.249
Base-Backbone interact. energy: -0.017
local terms energy: -74.167378
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -19.752
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: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -261.238330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.238330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.238330 (E_RNA)
where:
Base-Base interactions energy: -178.464
where: short stacking energy: -70.091
Base-Backbone interact. energy: -1.421
local terms energy: -81.352531
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -224.709810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.709810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.709810 (E_RNA)
where:
Base-Base interactions energy: -155.337
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.932
local terms energy: -68.441002
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -15.604
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -214.726991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.726991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.726991 (E_RNA)
where:
Base-Base interactions energy: -152.906
where: short stacking energy: -57.048
Base-Backbone interact. energy: -1.095
local terms energy: -60.725136
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -218.343849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.343849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.343849 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.422
local terms energy: -67.939351
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -7.844
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: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -180.448522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.448522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.448522 (E_RNA)
where:
Base-Base interactions energy: -103.042
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.031
local terms energy: -77.374951
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -161.540968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.540968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.540968 (E_RNA)
where:
Base-Base interactions energy: -99.224
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.049
local terms energy: -62.268639
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -11.166
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: 146
Temperature: 1.250000
Total energy: -162.433860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.433860 (E_RNA)
where:
Base-Base interactions energy: -90.781
where: short stacking energy: -53.607
Base-Backbone interact. energy: -0.776
local terms energy: -70.876320
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -15.303
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: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -153.997064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.997064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.997064 (E_RNA)
where:
Base-Base interactions energy: -97.301
where: short stacking energy: -50.011
Base-Backbone interact. energy: -0.150
local terms energy: -56.546769
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -100.691875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.691875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.691875 (E_RNA)
where:
Base-Base interactions energy: -46.055
where: short stacking energy: -46.055
Base-Backbone interact. energy: -0.014
local terms energy: -54.623478
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -273.058042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.058042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.058042 (E_RNA)
where:
Base-Base interactions energy: -192.760
where: short stacking energy: -73.295
Base-Backbone interact. energy: -0.078
local terms energy: -80.219493
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -235.874690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.874690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.874690 (E_RNA)
where:
Base-Base interactions energy: -153.713
where: short stacking energy: -65.707
Base-Backbone interact. energy: -0.395
local terms energy: -81.766590
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.065
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: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -265.929500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.929500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.929500 (E_RNA)
where:
Base-Base interactions energy: -182.481
where: short stacking energy: -73.978
Base-Backbone interact. energy: -1.554
local terms energy: -81.894416
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -19.921
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: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -219.650063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650063 (E_RNA)
where:
Base-Base interactions energy: -149.027
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.796
local terms energy: -69.827449
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -213.571436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.571436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.571436 (E_RNA)
where:
Base-Base interactions energy: -148.121
where: short stacking energy: -54.867
Base-Backbone interact. energy: -1.826
local terms energy: -63.624508
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -14.463
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: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -171.182489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.182489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.182489 (E_RNA)
where:
Base-Base interactions energy: -107.899
where: short stacking energy: -56.920
Base-Backbone interact. energy: 1.200
local terms energy: -64.483104
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -162.330630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.330630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.330630 (E_RNA)
where:
Base-Base interactions energy: -94.667
where: short stacking energy: -49.862
Base-Backbone interact. energy: 0.163
local terms energy: -67.826725
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -164.922015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.922015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.922015 (E_RNA)
where:
Base-Base interactions energy: -101.340
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.216
local terms energy: -63.366775
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -159.514721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.514721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.514721 (E_RNA)
where:
Base-Base interactions energy: -98.402
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.080
local terms energy: -61.033058
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -83.915426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.915426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.915426 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -22.612
Base-Backbone interact. energy: -0.250
local terms energy: -52.831058
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -267.997172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.997172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.997172 (E_RNA)
where:
Base-Base interactions energy: -182.355
where: short stacking energy: -73.933
Base-Backbone interact. energy: -1.113
local terms energy: -84.529608
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -12.856
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: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -237.855445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.855445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.855445 (E_RNA)
where:
Base-Base interactions energy: -167.950
where: short stacking energy: -67.915
Base-Backbone interact. energy: 0.288
local terms energy: -70.192882
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.549
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)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -253.976192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.976192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.976192 (E_RNA)
where:
Base-Base interactions energy: -176.841
where: short stacking energy: -71.541
Base-Backbone interact. energy: -0.087
local terms energy: -77.047871
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -19.921
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -222.945694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.945694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.945694 (E_RNA)
where:
Base-Base interactions energy: -158.468
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.961
local terms energy: -63.516983
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -215.530945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.530945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.530945 (E_RNA)
where:
Base-Base interactions energy: -142.719
where: short stacking energy: -60.635
Base-Backbone interact. energy: 0.423
local terms energy: -73.235087
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -175.239105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.239105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.239105 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.025
local terms energy: -59.154110
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -5.602
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -164.867058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.867058 (E_RNA)
where:
Base-Base interactions energy: -103.645
where: short stacking energy: -52.220
Base-Backbone interact. energy: -0.070
local terms energy: -61.151652
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -11.010
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: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -154.388556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.388556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.388556 (E_RNA)
where:
Base-Base interactions energy: -103.804
where: short stacking energy: -57.766
Base-Backbone interact. energy: 0.704
local terms energy: -51.288073
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -8.802
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: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -154.735639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.735639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.735639 (E_RNA)
where:
Base-Base interactions energy: -96.708
where: short stacking energy: -43.079
Base-Backbone interact. energy: -0.128
local terms energy: -57.899578
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -88.783303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.783303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.783303 (E_RNA)
where:
Base-Base interactions energy: -45.838
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.419
local terms energy: -42.526261
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -266.408608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.408608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.408608 (E_RNA)
where:
Base-Base interactions energy: -187.529
where: short stacking energy: -72.826
Base-Backbone interact. energy: -0.238
local terms energy: -78.641878
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -267.161323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.161323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.161323 (E_RNA)
where:
Base-Base interactions energy: -194.381
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.176
local terms energy: -72.604707
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -248.481974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.481974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.481974 (E_RNA)
where:
Base-Base interactions energy: -174.298
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.115
local terms energy: -74.069400
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -232.194061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.194061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.194061 (E_RNA)
where:
Base-Base interactions energy: -161.383
where: short stacking energy: -63.935
Base-Backbone interact. energy: 0.187
local terms energy: -70.997613
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -212.897387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.897387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.897387 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -61.445
Base-Backbone interact. energy: -0.900
local terms energy: -61.060679
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.366
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: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -178.150355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.150355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.150355 (E_RNA)
where:
Base-Base interactions energy: -112.986
where: short stacking energy: -55.618
Base-Backbone interact. energy: -0.018
local terms energy: -65.146131
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -174.330569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.330569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.330569 (E_RNA)
where:
Base-Base interactions energy: -104.945
where: short stacking energy: -49.066
Base-Backbone interact. energy: -0.534
local terms energy: -68.851226
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -14.910
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: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -165.589469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.589469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.589469 (E_RNA)
where:
Base-Base interactions energy: -96.791
where: short stacking energy: -53.391
Base-Backbone interact. energy: -0.844
local terms energy: -67.954637
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -13.828
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: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -151.688611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.688611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.688611 (E_RNA)
where:
Base-Base interactions energy: -90.210
where: short stacking energy: -39.126
Base-Backbone interact. energy: -1.379
local terms energy: -60.100068
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -81.964232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.964232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.964232 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -23.186
Base-Backbone interact. energy: 3.274
local terms energy: -56.752027
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -262.684003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.684003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.684003 (E_RNA)
where:
Base-Base interactions energy: -180.759
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.293
local terms energy: -81.632081
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -267.635247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.635247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.635247 (E_RNA)
where:
Base-Base interactions energy: -186.450
where: short stacking energy: -76.297
Base-Backbone interact. energy: -0.002
local terms energy: -81.183292
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -21.646
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: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -227.247516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247516 (E_RNA)
where:
Base-Base interactions energy: -155.840
where: short stacking energy: -64.858
Base-Backbone interact. energy: 0.199
local terms energy: -71.605995
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -216.479855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.479855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.479855 (E_RNA)
where:
Base-Base interactions energy: -150.151
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.368
local terms energy: -65.960260
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -215.379467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.379467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.379467 (E_RNA)
where:
Base-Base interactions energy: -144.582
where: short stacking energy: -59.172
Base-Backbone interact. energy: -0.606
local terms energy: -70.190973
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -188.875084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.875084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.875084 (E_RNA)
where:
Base-Base interactions energy: -111.826
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.043
local terms energy: -77.006183
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -20.799
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: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -172.504836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.504836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.504836 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.042
local terms energy: -61.350525
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -154.509645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.509645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.509645 (E_RNA)
where:
Base-Base interactions energy: -93.632
where: short stacking energy: -51.404
Base-Backbone interact. energy: -0.112
local terms energy: -60.766461
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -141.940065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.940065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.940065 (E_RNA)
where:
Base-Base interactions energy: -85.281
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.339
local terms energy: -56.319825
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -91.766965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.766965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.766965 (E_RNA)
where:
Base-Base interactions energy: -42.130
where: short stacking energy: -28.080
Base-Backbone interact. energy: -2.045
local terms energy: -47.591913
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -8.127
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: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -259.316392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.316392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.316392 (E_RNA)
where:
Base-Base interactions energy: -178.421
where: short stacking energy: -75.256
Base-Backbone interact. energy: -1.838
local terms energy: -79.057330
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -262.189798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.189798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.189798 (E_RNA)
where:
Base-Base interactions energy: -182.888
where: short stacking energy: -74.638
Base-Backbone interact. energy: -0.995
local terms energy: -78.306649
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -225.784097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.784097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.784097 (E_RNA)
where:
Base-Base interactions energy: -147.284
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.873
local terms energy: -77.626453
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -223.584927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.584927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.584927 (E_RNA)
where:
Base-Base interactions energy: -154.217
where: short stacking energy: -69.787
Base-Backbone interact. energy: 0.431
local terms energy: -69.798106
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -220.150378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.150378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.150378 (E_RNA)
where:
Base-Base interactions energy: -152.880
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.902
local terms energy: -66.367762
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -173.471405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.471405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.471405 (E_RNA)
where:
Base-Base interactions energy: -104.353
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.305
local terms energy: -68.813896
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -12.719
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: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -150.641384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.641384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.641384 (E_RNA)
where:
Base-Base interactions energy: -85.413
where: short stacking energy: -40.008
Base-Backbone interact. energy: -0.082
local terms energy: -65.146283
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -159.905767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.905767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.905767 (E_RNA)
where:
Base-Base interactions energy: -93.907
where: short stacking energy: -52.642
Base-Backbone interact. energy: -0.108
local terms energy: -65.891272
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -151.528825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.528825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.528825 (E_RNA)
where:
Base-Base interactions energy: -94.267
where: short stacking energy: -39.217
Base-Backbone interact. energy: -0.341
local terms energy: -56.921308
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -88.757605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.757605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.757605 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -37.257
Base-Backbone interact. energy: -0.238
local terms energy: -50.783248
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -267.237133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.237133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.237133 (E_RNA)
where:
Base-Base interactions energy: -187.149
where: short stacking energy: -74.953
Base-Backbone interact. energy: -1.094
local terms energy: -78.994109
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -22.856
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: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -264.992614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.992614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.992614 (E_RNA)
where:
Base-Base interactions energy: -186.940
where: short stacking energy: -73.901
Base-Backbone interact. energy: -0.135
local terms energy: -77.917803
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -243.519904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.519904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.519904 (E_RNA)
where:
Base-Base interactions energy: -175.136
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.155
local terms energy: -68.228904
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -225.154468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.154468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.154468 (E_RNA)
where:
Base-Base interactions energy: -167.719
where: short stacking energy: -68.334
Base-Backbone interact. energy: -0.505
local terms energy: -56.929932
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -192.930287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.930287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.930287 (E_RNA)
where:
Base-Base interactions energy: -119.751
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.281
local terms energy: -72.898745
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -11.587
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: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -215.504137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.504137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.504137 (E_RNA)
where:
Base-Base interactions energy: -149.816
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.184
local terms energy: -65.504643
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -170.015307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.015307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.015307 (E_RNA)
where:
Base-Base interactions energy: -106.359
where: short stacking energy: -55.898
Base-Backbone interact. energy: 0.474
local terms energy: -64.129979
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -162.715096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.715096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.715096 (E_RNA)
where:
Base-Base interactions energy: -101.045
where: short stacking energy: -52.223
Base-Backbone interact. energy: 0.272
local terms energy: -61.942824
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -11.576
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: 152
Temperature: 1.300000
Total energy: -150.784913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.784913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.784913 (E_RNA)
where:
Base-Base interactions energy: -96.685
where: short stacking energy: -50.811
Base-Backbone interact. energy: 0.087
local terms energy: -54.186690
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -5.099
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -147.917891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.917891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.917891 (E_RNA)
where:
Base-Base interactions energy: -102.310
where: short stacking energy: -43.111
Base-Backbone interact. energy: 3.083
local terms energy: -48.690401
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -266.176966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.176966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.176966 (E_RNA)
where:
Base-Base interactions energy: -185.747
where: short stacking energy: -74.188
Base-Backbone interact. energy: -1.033
local terms energy: -79.396995
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -20.461
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: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -266.205986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.205986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.205986 (E_RNA)
where:
Base-Base interactions energy: -185.209
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.136
local terms energy: -80.860658
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -231.212055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.212055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.212055 (E_RNA)
where:
Base-Base interactions energy: -151.388
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.244
local terms energy: -79.580360
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -217.133009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.133009 (E_RNA)
where:
Base-Base interactions energy: -147.260
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.303
local terms energy: -69.569992
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -187.764172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.764172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.764172 (E_RNA)
where:
Base-Base interactions energy: -122.784
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.207
local terms energy: -64.772899
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -11.344
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -204.117823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.117823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.117823 (E_RNA)
where:
Base-Base interactions energy: -131.686
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.730
local terms energy: -71.702565
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.373
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: 153
Temperature: 1.200000
Total energy: -210.394832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394832 (E_RNA)
where:
Base-Base interactions energy: -144.667
where: short stacking energy: -50.820
Base-Backbone interact. energy: -0.815
local terms energy: -64.913211
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -151.029147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.029147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.029147 (E_RNA)
where:
Base-Base interactions energy: -98.179
where: short stacking energy: -52.408
Base-Backbone interact. energy: -0.016
local terms energy: -52.834290
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -189.241843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.241843 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -61.856
Base-Backbone interact. energy: 1.999
local terms energy: -54.638330
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -7.434
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -2.567
tors. eta vs tors. theta energy: -15.528
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: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -150.930097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.930097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.930097 (E_RNA)
where:
Base-Base interactions energy: -100.703
where: short stacking energy: -48.948
Base-Backbone interact. energy: -0.016
local terms energy: -50.210625
where:
bonds (distance) C4'-P energy: -6.960
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -264.528494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.528494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.528494 (E_RNA)
where:
Base-Base interactions energy: -183.299
where: short stacking energy: -75.552
Base-Backbone interact. energy: -0.203
local terms energy: -81.026741
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -264.854669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.854669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.854669 (E_RNA)
where:
Base-Base interactions energy: -178.592
where: short stacking energy: -71.954
Base-Backbone interact. energy: -2.029
local terms energy: -84.233208
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -23.417
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: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -235.963539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.963539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.963539 (E_RNA)
where:
Base-Base interactions energy: -159.943
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.054
local terms energy: -75.967292
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -16.800
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: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -210.065885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.065885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065885 (E_RNA)
where:
Base-Base interactions energy: -139.546
where: short stacking energy: -54.941
Base-Backbone interact. energy: -0.148
local terms energy: -70.372363
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -230.346982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.346982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.346982 (E_RNA)
where:
Base-Base interactions energy: -159.914
where: short stacking energy: -64.422
Base-Backbone interact. energy: -1.459
local terms energy: -68.973784
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -168.127562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.127562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.127562 (E_RNA)
where:
Base-Base interactions energy: -104.072
where: short stacking energy: -55.506
Base-Backbone interact. energy: 0.002
local terms energy: -64.057424
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -194.355962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.355962 (E_RNA)
where:
Base-Base interactions energy: -128.511
where: short stacking energy: -48.927
Base-Backbone interact. energy: -0.640
local terms energy: -65.205342
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -156.701938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.701938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.701938 (E_RNA)
where:
Base-Base interactions energy: -89.202
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.615
local terms energy: -66.884887
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -154.159483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.159483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.159483 (E_RNA)
where:
Base-Base interactions energy: -90.727
where: short stacking energy: -35.063
Base-Backbone interact. energy: -0.068
local terms energy: -63.364796
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -161.658437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.658437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.658437 (E_RNA)
where:
Base-Base interactions energy: -105.074
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.548
local terms energy: -56.036244
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -277.896800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.896800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.896800 (E_RNA)
where:
Base-Base interactions energy: -199.191
where: short stacking energy: -77.988
Base-Backbone interact. energy: -0.009
local terms energy: -78.696204
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -243.317171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.317171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.317171 (E_RNA)
where:
Base-Base interactions energy: -171.633
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.147
local terms energy: -71.537479
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -16.102
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: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -258.621250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.621250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.621250 (E_RNA)
where:
Base-Base interactions energy: -181.963
where: short stacking energy: -73.748
Base-Backbone interact. energy: -1.265
local terms energy: -75.393374
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -238.616399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.616399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.616399 (E_RNA)
where:
Base-Base interactions energy: -165.098
where: short stacking energy: -69.477
Base-Backbone interact. energy: 0.200
local terms energy: -73.718221
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -211.492400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.492400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.492400 (E_RNA)
where:
Base-Base interactions energy: -154.286
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.821
local terms energy: -56.384731
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -179.656788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.656788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.656788 (E_RNA)
where:
Base-Base interactions energy: -107.993
where: short stacking energy: -61.363
Base-Backbone interact. energy: 0.354
local terms energy: -72.017734
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -168.528492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.528492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.528492 (E_RNA)
where:
Base-Base interactions energy: -107.642
where: short stacking energy: -57.093
Base-Backbone interact. energy: 4.256
local terms energy: -65.142488
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -167.949741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.949741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.949741 (E_RNA)
where:
Base-Base interactions energy: -118.923
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.164
local terms energy: -48.863658
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -154.268081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.268081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.268081 (E_RNA)
where:
Base-Base interactions energy: -101.371
where: short stacking energy: -52.500
Base-Backbone interact. energy: -0.345
local terms energy: -52.552391
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -149.028475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.028475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.028475 (E_RNA)
where:
Base-Base interactions energy: -92.799
where: short stacking energy: -43.424
Base-Backbone interact. energy: -0.190
local terms energy: -56.038981
where:
bonds (distance) C4'-P energy: -7.076
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -269.151165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.151165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.151165 (E_RNA)
where:
Base-Base interactions energy: -193.532
where: short stacking energy: -75.309
Base-Backbone interact. energy: 0.611
local terms energy: -76.229857
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -237.748031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.748031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.748031 (E_RNA)
where:
Base-Base interactions energy: -166.677
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.232
local terms energy: -70.838623
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -17.335
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: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -236.177469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.177469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.177469 (E_RNA)
where:
Base-Base interactions energy: -162.909
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.478
local terms energy: -72.790311
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -263.348397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.348397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.348397 (E_RNA)
where:
Base-Base interactions energy: -176.663
where: short stacking energy: -74.252
Base-Backbone interact. energy: -1.118
local terms energy: -85.567442
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -21.881
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: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -218.262253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.262253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.262253 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -69.112
Base-Backbone interact. energy: -0.061
local terms energy: -77.344933
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -177.459733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.459733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.459733 (E_RNA)
where:
Base-Base interactions energy: -124.845
where: short stacking energy: -59.331
Base-Backbone interact. energy: -0.052
local terms energy: -52.562193
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -7.860
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -2.544
tors. eta vs tors. theta energy: -13.287
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: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -183.399382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.399382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.399382 (E_RNA)
where:
Base-Base interactions energy: -118.259
where: short stacking energy: -52.358
Base-Backbone interact. energy: 0.277
local terms energy: -65.417951
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -8.734
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: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -186.973003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.973003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.973003 (E_RNA)
where:
Base-Base interactions energy: -132.527
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.269
local terms energy: -54.176341
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -155.025820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.025820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.025820 (E_RNA)
where:
Base-Base interactions energy: -97.645
where: short stacking energy: -44.235
Base-Backbone interact. energy: -0.109
local terms energy: -57.272383
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -142.487205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.487205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.487205 (E_RNA)
where:
Base-Base interactions energy: -89.927
where: short stacking energy: -38.875
Base-Backbone interact. energy: 2.528
local terms energy: -55.087963
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -268.023582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.023582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.023582 (E_RNA)
where:
Base-Base interactions energy: -188.897
where: short stacking energy: -79.007
Base-Backbone interact. energy: -0.903
local terms energy: -78.223377
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -242.391857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.391857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.391857 (E_RNA)
where:
Base-Base interactions energy: -167.868
where: short stacking energy: -70.901
Base-Backbone interact. energy: -0.665
local terms energy: -73.859345
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -248.212046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.212046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.212046 (E_RNA)
where:
Base-Base interactions energy: -170.579
where: short stacking energy: -75.289
Base-Backbone interact. energy: -0.120
local terms energy: -77.512316
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -16.473
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: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -255.463875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.463875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.463875 (E_RNA)
where:
Base-Base interactions energy: -179.478
where: short stacking energy: -72.125
Base-Backbone interact. energy: -1.804
local terms energy: -74.181454
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -23.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -206.583023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.583023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583023 (E_RNA)
where:
Base-Base interactions energy: -139.920
where: short stacking energy: -52.367
Base-Backbone interact. energy: -0.186
local terms energy: -66.476556
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -222.247961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.247961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.247961 (E_RNA)
where:
Base-Base interactions energy: -148.828
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.037
local terms energy: -73.382930
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -17.007
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: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -165.737121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.737121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.737121 (E_RNA)
where:
Base-Base interactions energy: -101.567
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.404
local terms energy: -63.766338
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -161.427648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.427648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.427648 (E_RNA)
where:
Base-Base interactions energy: -108.900
where: short stacking energy: -54.820
Base-Backbone interact. energy: -1.223
local terms energy: -51.304496
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -154.033222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.033222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.033222 (E_RNA)
where:
Base-Base interactions energy: -90.099
where: short stacking energy: -42.670
Base-Backbone interact. energy: -0.561
local terms energy: -63.372635
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -10.694
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: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -141.908673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.908673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.908673 (E_RNA)
where:
Base-Base interactions energy: -88.920
where: short stacking energy: -43.812
Base-Backbone interact. energy: -0.262
local terms energy: -52.726269
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -265.500004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.500004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.500004 (E_RNA)
where:
Base-Base interactions energy: -185.507
where: short stacking energy: -76.349
Base-Backbone interact. energy: -0.689
local terms energy: -79.304070
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -240.163763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.163763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.163763 (E_RNA)
where:
Base-Base interactions energy: -161.810
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.146
local terms energy: -78.208581
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -13.127
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: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -254.397515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.397515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.397515 (E_RNA)
where:
Base-Base interactions energy: -176.860
where: short stacking energy: -80.708
Base-Backbone interact. energy: 0.814
local terms energy: -78.351513
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -21.650
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: 158
Temperature: 1.050000
Total energy: -237.967430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.967430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.967430 (E_RNA)
where:
Base-Base interactions energy: -164.852
where: short stacking energy: -71.410
Base-Backbone interact. energy: -0.372
local terms energy: -72.743689
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -232.905637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.905637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.905637 (E_RNA)
where:
Base-Base interactions energy: -159.711
where: short stacking energy: -66.429
Base-Backbone interact. energy: 0.219
local terms energy: -73.413290
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -215.438006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.438006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.438006 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.312
local terms energy: -74.392820
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -162.432566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.432566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.432566 (E_RNA)
where:
Base-Base interactions energy: -102.131
where: short stacking energy: -55.912
Base-Backbone interact. energy: -0.308
local terms energy: -59.994116
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -151.187099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.187099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.187099 (E_RNA)
where:
Base-Base interactions energy: -98.498
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.192
local terms energy: -52.496609
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -148.732970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.732970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.732970 (E_RNA)
where:
Base-Base interactions energy: -87.905
where: short stacking energy: -40.428
Base-Backbone interact. energy: -0.397
local terms energy: -60.430856
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -7.163
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: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -139.273170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.273170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.273170 (E_RNA)
where:
Base-Base interactions energy: -86.070
where: short stacking energy: -43.169
Base-Backbone interact. energy: -0.084
local terms energy: -53.119071
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -259.617973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.617973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.617973 (E_RNA)
where:
Base-Base interactions energy: -179.305
where: short stacking energy: -75.500
Base-Backbone interact. energy: -1.507
local terms energy: -78.805709
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -260.299786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.299786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.299786 (E_RNA)
where:
Base-Base interactions energy: -187.458
where: short stacking energy: -78.661
Base-Backbone interact. energy: -0.893
local terms energy: -71.948588
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -22.500
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: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -234.247209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.247209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.247209 (E_RNA)
where:
Base-Base interactions energy: -161.774
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.150
local terms energy: -72.323115
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -234.552557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.552557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.552557 (E_RNA)
where:
Base-Base interactions energy: -156.903
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.345
local terms energy: -77.304173
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -18.472
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: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -223.501951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.501951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.501951 (E_RNA)
where:
Base-Base interactions energy: -145.262
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.219
local terms energy: -78.021688
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -201.918165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.918165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.918165 (E_RNA)
where:
Base-Base interactions energy: -141.288
where: short stacking energy: -54.310
Base-Backbone interact. energy: 0.393
local terms energy: -61.022954
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -14.891
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: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -164.541485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.541485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.541485 (E_RNA)
where:
Base-Base interactions energy: -103.612
where: short stacking energy: -45.741
Base-Backbone interact. energy: -0.377
local terms energy: -60.552818
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -8.513
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: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -159.709478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.709478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.709478 (E_RNA)
where:
Base-Base interactions energy: -92.768
where: short stacking energy: -40.948
Base-Backbone interact. energy: -0.391
local terms energy: -66.551088
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -146.814484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.814484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.814484 (E_RNA)
where:
Base-Base interactions energy: -91.521
where: short stacking energy: -46.456
Base-Backbone interact. energy: -0.410
local terms energy: -54.882897
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -156.188959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.188959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.188959 (E_RNA)
where:
Base-Base interactions energy: -97.393
where: short stacking energy: -39.543
Base-Backbone interact. energy: 1.661
local terms energy: -60.456646
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -273.038404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.038404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.038404 (E_RNA)
where:
Base-Base interactions energy: -196.138
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.592
local terms energy: -76.308153
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -259.580460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.580460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.580460 (E_RNA)
where:
Base-Base interactions energy: -180.164
where: short stacking energy: -69.323
Base-Backbone interact. energy: -1.596
local terms energy: -77.821043
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -18.506
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: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -239.525639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525639 (E_RNA)
where:
Base-Base interactions energy: -159.098
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.069
local terms energy: -80.358539
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -229.256586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.256586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.256586 (E_RNA)
where:
Base-Base interactions energy: -161.842
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.716
local terms energy: -66.698533
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -218.921623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.921623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.921623 (E_RNA)
where:
Base-Base interactions energy: -147.371
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.710
local terms energy: -70.840402
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -211.718101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.718101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.718101 (E_RNA)
where:
Base-Base interactions energy: -140.084
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.503
local terms energy: -71.130521
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -157.526674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.526674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.526674 (E_RNA)
where:
Base-Base interactions energy: -97.204
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.206
local terms energy: -60.116625
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -146.634271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.634271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.634271 (E_RNA)
where:
Base-Base interactions energy: -99.386
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.542
local terms energy: -46.705491
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -153.706753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.706753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.706753 (E_RNA)
where:
Base-Base interactions energy: -86.009
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.957
local terms energy: -66.741194
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.367
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: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -145.859985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.859985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.859985 (E_RNA)
where:
Base-Base interactions energy: -90.617
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.688
local terms energy: -54.554458
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -267.925195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.925195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.925195 (E_RNA)
where:
Base-Base interactions energy: -193.197
where: short stacking energy: -73.780
Base-Backbone interact. energy: -0.071
local terms energy: -74.657580
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -237.018044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.018044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.018044 (E_RNA)
where:
Base-Base interactions energy: -159.739
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.088
local terms energy: -77.190846
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.211
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: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -253.806147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.806147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.806147 (E_RNA)
where:
Base-Base interactions energy: -177.526
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.450
local terms energy: -75.830388
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -224.105224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.105224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.105224 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.629
local terms energy: -70.360800
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -212.094684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.094684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.094684 (E_RNA)
where:
Base-Base interactions energy: -141.709
where: short stacking energy: -56.740
Base-Backbone interact. energy: -1.293
local terms energy: -69.092537
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -211.785483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.785483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.785483 (E_RNA)
where:
Base-Base interactions energy: -142.012
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.512
local terms energy: -69.261510
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -16.352
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: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -154.729718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.729718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.729718 (E_RNA)
where:
Base-Base interactions energy: -96.006
where: short stacking energy: -47.534
Base-Backbone interact. energy: 0.836
local terms energy: -59.559061
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -171.338223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.338223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.338223 (E_RNA)
where:
Base-Base interactions energy: -103.347
where: short stacking energy: -57.678
Base-Backbone interact. energy: 0.156
local terms energy: -68.147047
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -145.606578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.606578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.606578 (E_RNA)
where:
Base-Base interactions energy: -88.805
where: short stacking energy: -39.735
Base-Backbone interact. energy: 2.849
local terms energy: -59.650360
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -139.600253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.600253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.600253 (E_RNA)
where:
Base-Base interactions energy: -84.855
where: short stacking energy: -42.906
Base-Backbone interact. energy: -0.106
local terms energy: -54.638593
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -243.964056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.964056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.964056 (E_RNA)
where:
Base-Base interactions energy: -166.049
where: short stacking energy: -76.221
Base-Backbone interact. energy: -0.020
local terms energy: -77.895231
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -275.312178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.312178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.312178 (E_RNA)
where:
Base-Base interactions energy: -196.252
where: short stacking energy: -73.300
Base-Backbone interact. energy: -0.007
local terms energy: -79.052562
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -21.217
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: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -255.228544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.228544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.228544 (E_RNA)
where:
Base-Base interactions energy: -178.905
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.381
local terms energy: -75.942174
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -224.972046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.972046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.972046 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.081
local terms energy: -67.691798
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -16.347
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: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -198.525073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.525073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.525073 (E_RNA)
where:
Base-Base interactions energy: -139.840
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.308
local terms energy: -58.376879
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -9.927
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: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -211.633466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.633466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.633466 (E_RNA)
where:
Base-Base interactions energy: -143.617
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.173
local terms energy: -67.842914
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -157.120552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.120552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.120552 (E_RNA)
where:
Base-Base interactions energy: -97.088
where: short stacking energy: -50.323
Base-Backbone interact. energy: 0.029
local terms energy: -60.061905
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -152.510915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.510915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.510915 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -47.537
Base-Backbone interact. energy: 0.114
local terms energy: -47.126590
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -150.465109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.465109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.465109 (E_RNA)
where:
Base-Base interactions energy: -90.520
where: short stacking energy: -43.542
Base-Backbone interact. energy: -0.132
local terms energy: -59.813627
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -136.488789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.488789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.488789 (E_RNA)
where:
Base-Base interactions energy: -83.226
where: short stacking energy: -36.389
Base-Backbone interact. energy: 0.377
local terms energy: -53.639949
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.585
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: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -243.390988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.390988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.390988 (E_RNA)
where:
Base-Base interactions energy: -161.091
where: short stacking energy: -68.574
Base-Backbone interact. energy: -1.519
local terms energy: -80.780753
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -19.160
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: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -265.508517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.508517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.508517 (E_RNA)
where:
Base-Base interactions energy: -187.871
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.088
local terms energy: -77.549342
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -263.120541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.120541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.120541 (E_RNA)
where:
Base-Base interactions energy: -186.700
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.028
local terms energy: -76.392913
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -224.894376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.894376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.894376 (E_RNA)
where:
Base-Base interactions energy: -162.237
where: short stacking energy: -65.294
Base-Backbone interact. energy: 0.166
local terms energy: -62.823491
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -195.650402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.650402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.650402 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.096
local terms energy: -60.997217
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -12.468
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: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -207.768182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.768182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.768182 (E_RNA)
where:
Base-Base interactions energy: -142.966
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.197
local terms energy: -64.605624
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -176.079450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079450 (E_RNA)
where:
Base-Base interactions energy: -111.067
where: short stacking energy: -53.890
Base-Backbone interact. energy: -0.037
local terms energy: -64.975646
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -158.298489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.298489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.298489 (E_RNA)
where:
Base-Base interactions energy: -99.671
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.135
local terms energy: -58.492720
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -10.836
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: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -137.225353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.225353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.225353 (E_RNA)
where:
Base-Base interactions energy: -81.998
where: short stacking energy: -31.270
Base-Backbone interact. energy: -0.334
local terms energy: -54.892588
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -149.993076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.993076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.993076 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -46.289
Base-Backbone interact. energy: -0.410
local terms energy: -56.222708
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -261.888611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.888611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.888611 (E_RNA)
where:
Base-Base interactions energy: -185.977
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.128
local terms energy: -75.784100
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -241.216274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.216274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.216274 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.013
local terms energy: -75.538693
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -17.799
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: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -258.973929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.973929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.973929 (E_RNA)
where:
Base-Base interactions energy: -181.852
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.059
local terms energy: -77.063456
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -218.417246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417246 (E_RNA)
where:
Base-Base interactions energy: -142.481
where: short stacking energy: -61.099
Base-Backbone interact. energy: 0.340
local terms energy: -76.276174
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -217.864949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.864949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.864949 (E_RNA)
where:
Base-Base interactions energy: -147.204
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.709
local terms energy: -69.951522
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.297
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)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -196.396997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.396997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.396997 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.209
local terms energy: -54.350927
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -7.074
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -178.434750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.434750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.434750 (E_RNA)
where:
Base-Base interactions energy: -106.171
where: short stacking energy: -53.437
Base-Backbone interact. energy: -0.214
local terms energy: -72.049765
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -11.708
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -162.915120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.915120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.915120 (E_RNA)
where:
Base-Base interactions energy: -99.832
where: short stacking energy: -53.246
Base-Backbone interact. energy: -0.061
local terms energy: -63.022454
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -11.986
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: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -139.670256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.670256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.670256 (E_RNA)
where:
Base-Base interactions energy: -80.977
where: short stacking energy: -41.069
Base-Backbone interact. energy: -0.114
local terms energy: -58.579211
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -110.465843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.465843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.465843 (E_RNA)
where:
Base-Base interactions energy: -66.896
where: short stacking energy: -33.775
Base-Backbone interact. energy: -0.338
local terms energy: -43.231961
where:
bonds (distance) C4'-P energy: -7.830
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -259.390658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.390658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.390658 (E_RNA)
where:
Base-Base interactions energy: -187.033
where: short stacking energy: -70.684
Base-Backbone interact. energy: -1.075
local terms energy: -71.283486
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -272.508750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.508750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.508750 (E_RNA)
where:
Base-Base interactions energy: -186.930
where: short stacking energy: -74.276
Base-Backbone interact. energy: -2.099
local terms energy: -83.479597
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -242.843254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.843254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.843254 (E_RNA)
where:
Base-Base interactions energy: -168.301
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.004
local terms energy: -74.538861
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -218.098705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.098705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.098705 (E_RNA)
where:
Base-Base interactions energy: -143.913
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.377
local terms energy: -73.809258
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -223.821271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.821271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.821271 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -56.892
Base-Backbone interact. energy: -0.675
local terms energy: -70.573123
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -202.800239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.800239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.800239 (E_RNA)
where:
Base-Base interactions energy: -146.125
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.322
local terms energy: -56.352970
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -11.907
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: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -165.082466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.082466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.082466 (E_RNA)
where:
Base-Base interactions energy: -107.011
where: short stacking energy: -51.672
Base-Backbone interact. energy: -0.104
local terms energy: -57.967672
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -145.624734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.624734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.624734 (E_RNA)
where:
Base-Base interactions energy: -92.510
where: short stacking energy: -45.833
Base-Backbone interact. energy: 0.142
local terms energy: -53.256732
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -151.874138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.874138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.874138 (E_RNA)
where:
Base-Base interactions energy: -99.308
where: short stacking energy: -50.083
Base-Backbone interact. energy: -0.010
local terms energy: -52.556258
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -8.079
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -86.827041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.827041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.827041 (E_RNA)
where:
Base-Base interactions energy: -33.436
where: short stacking energy: -27.331
Base-Backbone interact. energy: -0.038
local terms energy: -53.352938
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -271.118437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.118437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.118437 (E_RNA)
where:
Base-Base interactions energy: -190.363
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.001
local terms energy: -80.754562
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -23.820
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: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -262.429917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.429917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.429917 (E_RNA)
where:
Base-Base interactions energy: -193.437
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.911
local terms energy: -68.082188
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -15.563
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: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -244.447490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.447490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.447490 (E_RNA)
where:
Base-Base interactions energy: -161.988
where: short stacking energy: -74.264
Base-Backbone interact. energy: -0.166
local terms energy: -82.293912
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -223.261129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.261129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.261129 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.009
local terms energy: -70.254181
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -12.865
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: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -231.782634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.782634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.782634 (E_RNA)
where:
Base-Base interactions energy: -162.041
where: short stacking energy: -63.742
Base-Backbone interact. energy: 1.489
local terms energy: -71.230952
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -15.096
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: 166
Temperature: 1.150000
Total energy: -197.209400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.209400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209400 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.092
local terms energy: -56.857954
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -152.431101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.431101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.431101 (E_RNA)
where:
Base-Base interactions energy: -94.481
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.060
local terms energy: -57.889472
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -154.420733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.420733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.420733 (E_RNA)
where:
Base-Base interactions energy: -96.774
where: short stacking energy: -44.817
Base-Backbone interact. energy: 1.237
local terms energy: -58.883179
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -152.133251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.133251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.133251 (E_RNA)
where:
Base-Base interactions energy: -99.082
where: short stacking energy: -50.863
Base-Backbone interact. energy: 0.791
local terms energy: -53.842443
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.082886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.082886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.082886 (E_RNA)
where:
Base-Base interactions energy: -33.384
where: short stacking energy: -27.579
Base-Backbone interact. energy: -0.004
local terms energy: -47.694169
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -267.361023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.361023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.361023 (E_RNA)
where:
Base-Base interactions energy: -189.730
where: short stacking energy: -69.236
Base-Backbone interact. energy: -0.001
local terms energy: -77.630618
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -20.411
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: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -259.959129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.959129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.959129 (E_RNA)
where:
Base-Base interactions energy: -175.850
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.553
local terms energy: -83.556305
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -17.513
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -243.402945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.402945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.402945 (E_RNA)
where:
Base-Base interactions energy: -169.589
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.155
local terms energy: -73.658725
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -13.850
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: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -222.841358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.841358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.841358 (E_RNA)
where:
Base-Base interactions energy: -154.356
where: short stacking energy: -66.353
Base-Backbone interact. energy: -0.156
local terms energy: -68.329349
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -215.173646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173646 (E_RNA)
where:
Base-Base interactions energy: -152.111
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.391
local terms energy: -62.671924
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -170.145207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.145207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.145207 (E_RNA)
where:
Base-Base interactions energy: -100.988
where: short stacking energy: -52.977
Base-Backbone interact. energy: -0.522
local terms energy: -68.635271
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -182.258087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.258087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.258087 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.053
local terms energy: -61.853045
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -171.101708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.101708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.101708 (E_RNA)
where:
Base-Base interactions energy: -106.122
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.047
local terms energy: -64.933068
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.052
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -152.587338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.587338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.587338 (E_RNA)
where:
Base-Base interactions energy: -93.195
where: short stacking energy: -43.545
Base-Backbone interact. energy: -0.374
local terms energy: -59.018200
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -84.851251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851251 (E_RNA)
where:
Base-Base interactions energy: -34.125
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.188
local terms energy: -50.538205
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -260.346428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.346428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.346428 (E_RNA)
where:
Base-Base interactions energy: -188.161
where: short stacking energy: -71.974
Base-Backbone interact. energy: -1.014
local terms energy: -71.171214
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -265.912586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.912586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.912586 (E_RNA)
where:
Base-Base interactions energy: -185.958
where: short stacking energy: -77.932
Base-Backbone interact. energy: 0.663
local terms energy: -80.617227
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -233.094642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.094642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.094642 (E_RNA)
where:
Base-Base interactions energy: -162.964
where: short stacking energy: -70.769
Base-Backbone interact. energy: 0.369
local terms energy: -70.499773
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -238.704924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.704924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.704924 (E_RNA)
where:
Base-Base interactions energy: -168.129
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.024
local terms energy: -70.551933
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -175.951322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.951322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.951322 (E_RNA)
where:
Base-Base interactions energy: -109.686
where: short stacking energy: -55.699
Base-Backbone interact. energy: -0.046
local terms energy: -66.219904
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -225.514108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.514108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.514108 (E_RNA)
where:
Base-Base interactions energy: -157.244
where: short stacking energy: -66.365
Base-Backbone interact. energy: -1.851
local terms energy: -66.419181
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -16.770
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -204.961459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.961459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.961459 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -52.501
Base-Backbone interact. energy: -1.225
local terms energy: -67.136596
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.500
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: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -179.096798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.096798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.096798 (E_RNA)
where:
Base-Base interactions energy: -114.529
where: short stacking energy: -61.853
Base-Backbone interact. energy: -0.098
local terms energy: -64.469904
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -148.764385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.764385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.764385 (E_RNA)
where:
Base-Base interactions energy: -92.939
where: short stacking energy: -46.595
Base-Backbone interact. energy: -0.261
local terms energy: -55.564283
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -4.075
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: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -78.274816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274816 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -32.002
Base-Backbone interact. energy: 0.594
local terms energy: -46.867260
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -261.474726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.474726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.474726 (E_RNA)
where:
Base-Base interactions energy: -188.266
where: short stacking energy: -75.515
Base-Backbone interact. energy: -1.171
local terms energy: -72.038034
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -268.461118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.461118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.461118 (E_RNA)
where:
Base-Base interactions energy: -184.247
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.841
local terms energy: -83.372553
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -237.454930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.454930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.454930 (E_RNA)
where:
Base-Base interactions energy: -169.480
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.171
local terms energy: -67.803841
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -7.769
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -226.528294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.528294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.528294 (E_RNA)
where:
Base-Base interactions energy: -164.423
where: short stacking energy: -69.086
Base-Backbone interact. energy: 0.056
local terms energy: -62.160689
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -177.722790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.722790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.722790 (E_RNA)
where:
Base-Base interactions energy: -114.285
where: short stacking energy: -54.334
Base-Backbone interact. energy: -0.049
local terms energy: -63.388692
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -195.121231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.121231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.121231 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.106
local terms energy: -67.454068
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -207.837693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.837693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.837693 (E_RNA)
where:
Base-Base interactions energy: -140.810
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.751
local terms energy: -66.277359
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -11.728
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: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -171.158730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.158730 (E_RNA)
where:
Base-Base interactions energy: -112.136
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.107
local terms energy: -58.916057
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -151.805542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.805542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.805542 (E_RNA)
where:
Base-Base interactions energy: -95.656
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.102
local terms energy: -56.047946
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -9.939
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: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -88.686602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686602 (E_RNA)
where:
Base-Base interactions energy: -32.752
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.061
local terms energy: -55.873085
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.404
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: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -260.446718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.446718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.446718 (E_RNA)
where:
Base-Base interactions energy: -181.812
where: short stacking energy: -68.882
Base-Backbone interact. energy: -1.407
local terms energy: -77.227542
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -267.998129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.998129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.998129 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -78.815
Base-Backbone interact. energy: 0.091
local terms energy: -74.265245
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -230.849305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.849305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.849305 (E_RNA)
where:
Base-Base interactions energy: -158.696
where: short stacking energy: -68.642
Base-Backbone interact. energy: 0.630
local terms energy: -72.782462
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -15.643
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -232.350044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.350044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.350044 (E_RNA)
where:
Base-Base interactions energy: -164.115
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.037
local terms energy: -68.197938
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -192.886829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.886829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.886829 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.366
local terms energy: -65.397225
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -186.688418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.688418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.688418 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -70.931
Base-Backbone interact. energy: -0.007
local terms energy: -60.649056
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -205.321367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.321367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.321367 (E_RNA)
where:
Base-Base interactions energy: -141.046
where: short stacking energy: -48.315
Base-Backbone interact. energy: 0.077
local terms energy: -64.353141
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -144.827840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.827840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.827840 (E_RNA)
where:
Base-Base interactions energy: -88.719
where: short stacking energy: -36.319
Base-Backbone interact. energy: 0.770
local terms energy: -56.879104
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -149.474102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.474102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.474102 (E_RNA)
where:
Base-Base interactions energy: -87.700
where: short stacking energy: -40.849
Base-Backbone interact. energy: -0.262
local terms energy: -61.512505
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -82.985191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985191 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -33.751
Base-Backbone interact. energy: 0.823
local terms energy: -50.057091
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -256.963666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.963666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.963666 (E_RNA)
where:
Base-Base interactions energy: -181.074
where: short stacking energy: -72.547
Base-Backbone interact. energy: -1.355
local terms energy: -74.534721
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -264.624594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.624594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.624594 (E_RNA)
where:
Base-Base interactions energy: -185.447
where: short stacking energy: -74.169
Base-Backbone interact. energy: -1.647
local terms energy: -77.531522
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -233.452651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.452651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.452651 (E_RNA)
where:
Base-Base interactions energy: -159.580
where: short stacking energy: -72.053
Base-Backbone interact. energy: 0.262
local terms energy: -74.134724
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -221.575632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.575632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.575632 (E_RNA)
where:
Base-Base interactions energy: -147.718
where: short stacking energy: -55.600
Base-Backbone interact. energy: -0.317
local terms energy: -73.540424
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -189.958740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958740 (E_RNA)
where:
Base-Base interactions energy: -130.407
where: short stacking energy: -61.791
Base-Backbone interact. energy: -0.320
local terms energy: -59.231534
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -5.021
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: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -217.012764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.012764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.012764 (E_RNA)
where:
Base-Base interactions energy: -152.362
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.822
local terms energy: -63.828781
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -166.050951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.050951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.050951 (E_RNA)
where:
Base-Base interactions energy: -101.388
where: short stacking energy: -52.685
Base-Backbone interact. energy: -0.157
local terms energy: -64.505815
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -13.580
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: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -145.547706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.547706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.547706 (E_RNA)
where:
Base-Base interactions energy: -80.281
where: short stacking energy: -33.572
Base-Backbone interact. energy: -2.912
local terms energy: -62.354908
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -5.269
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: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -163.930040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.930040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.930040 (E_RNA)
where:
Base-Base interactions energy: -103.036
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.071
local terms energy: -60.822580
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -93.884127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884127 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -37.477
Base-Backbone interact. energy: -0.009
local terms energy: -56.398110
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -267.567782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.567782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.567782 (E_RNA)
where:
Base-Base interactions energy: -186.484
where: short stacking energy: -82.608
Base-Backbone interact. energy: -1.170
local terms energy: -79.913755
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -253.678155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.678155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.678155 (E_RNA)
where:
Base-Base interactions energy: -175.322
where: short stacking energy: -71.968
Base-Backbone interact. energy: -0.571
local terms energy: -77.784979
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -17.877
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: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -232.854672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.854672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.854672 (E_RNA)
where:
Base-Base interactions energy: -166.251
where: short stacking energy: -67.538
Base-Backbone interact. energy: -0.364
local terms energy: -66.239883
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -16.101
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: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -242.123362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.123362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.123362 (E_RNA)
where:
Base-Base interactions energy: -164.321
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.001
local terms energy: -77.801517
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -208.745214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.745214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.745214 (E_RNA)
where:
Base-Base interactions energy: -138.653
where: short stacking energy: -58.477
Base-Backbone interact. energy: 0.272
local terms energy: -70.364551
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -14.417
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -185.892075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.892075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.892075 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -59.532
Base-Backbone interact. energy: 1.523
local terms energy: -60.406968
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -153.989911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.989911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.989911 (E_RNA)
where:
Base-Base interactions energy: -98.644
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.343
local terms energy: -55.002624
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -4.385
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: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -144.988048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.988048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.988048 (E_RNA)
where:
Base-Base interactions energy: -90.361
where: short stacking energy: -47.559
Base-Backbone interact. energy: 0.546
local terms energy: -55.173049
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -7.478
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: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -143.637252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.637252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.637252 (E_RNA)
where:
Base-Base interactions energy: -89.006
where: short stacking energy: -39.610
Base-Backbone interact. energy: -0.383
local terms energy: -54.248377
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -82.995737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995737 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -27.327
Base-Backbone interact. energy: -0.227
local terms energy: -46.782464
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -263.967090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.967090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.967090 (E_RNA)
where:
Base-Base interactions energy: -188.028
where: short stacking energy: -77.112
Base-Backbone interact. energy: 0.279
local terms energy: -76.218495
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -266.723664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.723664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.723664 (E_RNA)
where:
Base-Base interactions energy: -196.635
where: short stacking energy: -72.344
Base-Backbone interact. energy: -0.071
local terms energy: -70.016915
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -236.535493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535493 (E_RNA)
where:
Base-Base interactions energy: -161.962
where: short stacking energy: -63.539
Base-Backbone interact. energy: -1.894
local terms energy: -72.679064
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -233.747499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.747499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.747499 (E_RNA)
where:
Base-Base interactions energy: -160.522
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.109
local terms energy: -73.117414
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -222.660633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.660633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.660633 (E_RNA)
where:
Base-Base interactions energy: -147.541
where: short stacking energy: -55.492
Base-Backbone interact. energy: -1.930
local terms energy: -73.189206
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -178.880829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.880829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.880829 (E_RNA)
where:
Base-Base interactions energy: -110.698
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.136
local terms energy: -68.047141
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -161.255408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.255408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.255408 (E_RNA)
where:
Base-Base interactions energy: -95.710
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.389
local terms energy: -65.155685
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -161.077997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.077997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.077997 (E_RNA)
where:
Base-Base interactions energy: -95.302
where: short stacking energy: -49.737
Base-Backbone interact. energy: -2.292
local terms energy: -63.484020
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -140.421104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.421104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.421104 (E_RNA)
where:
Base-Base interactions energy: -83.174
where: short stacking energy: -39.586
Base-Backbone interact. energy: -1.081
local terms energy: -56.166570
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -8.823
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: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -82.109343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.109343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.109343 (E_RNA)
where:
Base-Base interactions energy: -30.991
where: short stacking energy: -17.958
Base-Backbone interact. energy: 0.573
local terms energy: -51.690962
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -275.176010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.176010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.176010 (E_RNA)
where:
Base-Base interactions energy: -191.260
where: short stacking energy: -75.773
Base-Backbone interact. energy: -0.010
local terms energy: -83.906292
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -264.288652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.288652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.288652 (E_RNA)
where:
Base-Base interactions energy: -193.910
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.134
local terms energy: -70.245054
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -22.490
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: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -232.848924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.848924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.848924 (E_RNA)
where:
Base-Base interactions energy: -160.692
where: short stacking energy: -72.970
Base-Backbone interact. energy: -0.012
local terms energy: -72.145323
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -226.796692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.796692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.796692 (E_RNA)
where:
Base-Base interactions energy: -156.871
where: short stacking energy: -64.634
Base-Backbone interact. energy: -0.232
local terms energy: -69.693828
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -221.519268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.519268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.519268 (E_RNA)
where:
Base-Base interactions energy: -161.538
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.630
local terms energy: -59.351479
where:
bonds (distance) C4'-P energy: -7.904
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -14.822
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: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -170.957248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.957248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.957248 (E_RNA)
where:
Base-Base interactions energy: -108.172
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.160
local terms energy: -62.624756
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -173.454981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.454981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.454981 (E_RNA)
where:
Base-Base interactions energy: -109.540
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.089
local terms energy: -63.826129
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -161.773696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.773696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.773696 (E_RNA)
where:
Base-Base interactions energy: -99.504
where: short stacking energy: -40.071
Base-Backbone interact. energy: 0.451
local terms energy: -62.720277
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -160.297944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.297944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.297944 (E_RNA)
where:
Base-Base interactions energy: -98.221
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.893
local terms energy: -61.183701
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -139.152359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.152359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.152359 (E_RNA)
where:
Base-Base interactions energy: -88.788
where: short stacking energy: -44.495
Base-Backbone interact. energy: -0.145
local terms energy: -50.219268
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -6.145
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -264.239725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.239725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.239725 (E_RNA)
where:
Base-Base interactions energy: -189.727
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.162
local terms energy: -74.350394
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -240.636749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.636749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.636749 (E_RNA)
where:
Base-Base interactions energy: -163.072
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.379
local terms energy: -77.185818
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -18.884
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: 175
Temperature: 1.000000
Total energy: -248.264987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.264987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.264987 (E_RNA)
where:
Base-Base interactions energy: -173.099
where: short stacking energy: -70.040
Base-Backbone interact. energy: -0.328
local terms energy: -74.837930
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -233.915173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.915173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.915173 (E_RNA)
where:
Base-Base interactions energy: -159.798
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.832
local terms energy: -73.285404
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -15.082
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -210.254743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.254743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.254743 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -58.449
Base-Backbone interact. energy: -1.304
local terms energy: -64.303883
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -184.346037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.346037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.346037 (E_RNA)
where:
Base-Base interactions energy: -118.400
where: short stacking energy: -54.573
Base-Backbone interact. energy: -0.244
local terms energy: -65.701933
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -163.873990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.873990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.873990 (E_RNA)
where:
Base-Base interactions energy: -95.629
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.250
local terms energy: -67.995864
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -152.513866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.513866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.513866 (E_RNA)
where:
Base-Base interactions energy: -94.276
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.755
local terms energy: -57.482555
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -161.058288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.058288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.058288 (E_RNA)
where:
Base-Base interactions energy: -92.963
where: short stacking energy: -48.078
Base-Backbone interact. energy: -0.981
local terms energy: -67.114607
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -151.570593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.570593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.570593 (E_RNA)
where:
Base-Base interactions energy: -87.153
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.716
local terms energy: -63.701901
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -241.196119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.196119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.196119 (E_RNA)
where:
Base-Base interactions energy: -165.707
where: short stacking energy: -75.243
Base-Backbone interact. energy: -0.001
local terms energy: -75.487374
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -18.590
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: 176
Temperature: 0.950000
Total energy: -262.825238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.825238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.825238 (E_RNA)
where:
Base-Base interactions energy: -176.759
where: short stacking energy: -75.120
Base-Backbone interact. energy: -0.712
local terms energy: -85.354103
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -248.311475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.311475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.311475 (E_RNA)
where:
Base-Base interactions energy: -170.952
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.491
local terms energy: -76.868629
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -223.799092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.799092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.799092 (E_RNA)
where:
Base-Base interactions energy: -156.400
where: short stacking energy: -67.239
Base-Backbone interact. energy: 0.400
local terms energy: -67.798988
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -173.505044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.505044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.505044 (E_RNA)
where:
Base-Base interactions energy: -103.608
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.018
local terms energy: -69.878921
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -206.868879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.868879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.868879 (E_RNA)
where:
Base-Base interactions energy: -147.527
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.753
local terms energy: -58.588708
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -9.244
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: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -163.960436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.960436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.960436 (E_RNA)
where:
Base-Base interactions energy: -104.053
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.003
local terms energy: -59.904163
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -157.763712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.763712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.763712 (E_RNA)
where:
Base-Base interactions energy: -103.149
where: short stacking energy: -45.031
Base-Backbone interact. energy: -0.149
local terms energy: -54.465853
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -143.417985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.417985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.417985 (E_RNA)
where:
Base-Base interactions energy: -88.394
where: short stacking energy: -43.896
Base-Backbone interact. energy: -0.192
local terms energy: -54.832822
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -148.980215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.980215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.980215 (E_RNA)
where:
Base-Base interactions energy: -86.980
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.027
local terms energy: -61.973365
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -239.007635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.007635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.007635 (E_RNA)
where:
Base-Base interactions energy: -161.467
where: short stacking energy: -67.801
Base-Backbone interact. energy: 0.598
local terms energy: -78.139406
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -264.990858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.990858 (E_RNA)
where:
Base-Base interactions energy: -190.027
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.093
local terms energy: -74.871238
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -20.253
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: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -257.228894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.228894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.228894 (E_RNA)
where:
Base-Base interactions energy: -185.367
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.835
local terms energy: -71.026620
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -187.509490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.509490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.509490 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -63.924
Base-Backbone interact. energy: -0.009
local terms energy: -65.916621
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -225.786551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.786551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.786551 (E_RNA)
where:
Base-Base interactions energy: -153.798
where: short stacking energy: -64.730
Base-Backbone interact. energy: -1.240
local terms energy: -70.748505
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -176.044258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.044258 (E_RNA)
where:
Base-Base interactions energy: -103.778
where: short stacking energy: -59.078
Base-Backbone interact. energy: 0.953
local terms energy: -73.220011
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -16.061
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: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -214.387547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.387547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.387547 (E_RNA)
where:
Base-Base interactions energy: -146.275
where: short stacking energy: -49.280
Base-Backbone interact. energy: 0.239
local terms energy: -68.350976
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -161.643480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.643480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.643480 (E_RNA)
where:
Base-Base interactions energy: -99.852
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.090
local terms energy: -61.701864
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -13.178
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: 177
Temperature: 1.300000
Total energy: -167.132550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.132550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.132550 (E_RNA)
where:
Base-Base interactions energy: -105.126
where: short stacking energy: -57.420
Base-Backbone interact. energy: 0.258
local terms energy: -62.265333
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -150.321394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.321394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.321394 (E_RNA)
where:
Base-Base interactions energy: -89.930
where: short stacking energy: -44.059
Base-Backbone interact. energy: -0.015
local terms energy: -60.375762
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -269.454251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.454251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.454251 (E_RNA)
where:
Base-Base interactions energy: -185.635
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.030
local terms energy: -83.789000
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -23.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -236.462172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.462172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.462172 (E_RNA)
where:
Base-Base interactions energy: -161.355
where: short stacking energy: -74.758
Base-Backbone interact. energy: -0.026
local terms energy: -75.080952
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -255.239848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.239848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.239848 (E_RNA)
where:
Base-Base interactions energy: -184.598
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.130
local terms energy: -70.511438
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -193.644870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.644870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.644870 (E_RNA)
where:
Base-Base interactions energy: -117.722
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.002
local terms energy: -75.921408
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -185.929002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.929002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.929002 (E_RNA)
where:
Base-Base interactions energy: -111.314
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.097
local terms energy: -74.517815
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -215.163370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.163370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.163370 (E_RNA)
where:
Base-Base interactions energy: -146.877
where: short stacking energy: -57.491
Base-Backbone interact. energy: -2.073
local terms energy: -66.213950
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -13.370
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: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -196.102428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.102428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.102428 (E_RNA)
where:
Base-Base interactions energy: -141.142
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.409
local terms energy: -54.551150
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -1.240
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -163.378248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.378248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.378248 (E_RNA)
where:
Base-Base interactions energy: -103.963
where: short stacking energy: -52.200
Base-Backbone interact. energy: -0.108
local terms energy: -59.306483
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -139.755108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.755108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.755108 (E_RNA)
where:
Base-Base interactions energy: -82.956
where: short stacking energy: -44.006
Base-Backbone interact. energy: -0.095
local terms energy: -56.703876
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -133.123884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.123884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.123884 (E_RNA)
where:
Base-Base interactions energy: -85.393
where: short stacking energy: -39.388
Base-Backbone interact. energy: 0.451
local terms energy: -48.181311
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -270.740604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.740604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.740604 (E_RNA)
where:
Base-Base interactions energy: -185.803
where: short stacking energy: -76.505
Base-Backbone interact. energy: -0.243
local terms energy: -84.694530
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -21.020
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: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -259.637893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.637893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.637893 (E_RNA)
where:
Base-Base interactions energy: -185.650
where: short stacking energy: -74.680
Base-Backbone interact. energy: -0.114
local terms energy: -73.873538
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -230.154958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.154958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.154958 (E_RNA)
where:
Base-Base interactions energy: -154.837
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.853
local terms energy: -74.464722
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -191.885735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.885735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.885735 (E_RNA)
where:
Base-Base interactions energy: -126.570
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.009
local terms energy: -65.306797
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -17.350
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: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -178.835965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.835965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.835965 (E_RNA)
where:
Base-Base interactions energy: -114.631
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.145
local terms energy: -64.060175
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -212.726792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.726792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.726792 (E_RNA)
where:
Base-Base interactions energy: -144.713
where: short stacking energy: -62.861
Base-Backbone interact. energy: -0.822
local terms energy: -67.191642
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -16.935
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: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -201.132703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.132703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.132703 (E_RNA)
where:
Base-Base interactions energy: -130.141
where: short stacking energy: -53.303
Base-Backbone interact. energy: 0.022
local terms energy: -71.013047
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -16.439
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: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -152.220170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.220170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.220170 (E_RNA)
where:
Base-Base interactions energy: -100.483
where: short stacking energy: -40.912
Base-Backbone interact. energy: -0.982
local terms energy: -50.755183
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -6.202
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -149.240396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.240396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.240396 (E_RNA)
where:
Base-Base interactions energy: -92.807
where: short stacking energy: -49.583
Base-Backbone interact. energy: -0.141
local terms energy: -56.292262
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -144.708089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.708089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.708089 (E_RNA)
where:
Base-Base interactions energy: -91.449
where: short stacking energy: -44.564
Base-Backbone interact. energy: -0.562
local terms energy: -52.696646
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -272.239773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.239773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.239773 (E_RNA)
where:
Base-Base interactions energy: -185.324
where: short stacking energy: -75.941
Base-Backbone interact. energy: -1.290
local terms energy: -85.626370
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -21.803
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: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -255.947659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.947659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.947659 (E_RNA)
where:
Base-Base interactions energy: -181.311
where: short stacking energy: -67.269
Base-Backbone interact. energy: -0.349
local terms energy: -74.287181
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -187.337813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.337813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.337813 (E_RNA)
where:
Base-Base interactions energy: -118.577
where: short stacking energy: -64.465
Base-Backbone interact. energy: 1.423
local terms energy: -70.183575
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -226.464172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.464172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.464172 (E_RNA)
where:
Base-Base interactions energy: -160.874
where: short stacking energy: -68.565
Base-Backbone interact. energy: -0.105
local terms energy: -65.484823
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -215.003995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003995 (E_RNA)
where:
Base-Base interactions energy: -157.945
where: short stacking energy: -57.699
Base-Backbone interact. energy: 0.181
local terms energy: -57.239462
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -178.296394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.296394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.296394 (E_RNA)
where:
Base-Base interactions energy: -109.368
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.127
local terms energy: -68.800762
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -218.714939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.714939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.714939 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -62.467
Base-Backbone interact. energy: -0.096
local terms energy: -68.613773
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -10.302
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: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -155.091424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.091424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.091424 (E_RNA)
where:
Base-Base interactions energy: -96.125
where: short stacking energy: -48.147
Base-Backbone interact. energy: -1.137
local terms energy: -57.829787
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -10.189
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: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -149.611116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.611116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.611116 (E_RNA)
where:
Base-Base interactions energy: -94.084
where: short stacking energy: -50.200
Base-Backbone interact. energy: 0.424
local terms energy: -55.951522
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -142.183415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.183415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.183415 (E_RNA)
where:
Base-Base interactions energy: -88.473
where: short stacking energy: -49.532
Base-Backbone interact. energy: -0.224
local terms energy: -53.485657
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -7.087
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: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -267.403319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.403319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.403319 (E_RNA)
where:
Base-Base interactions energy: -181.197
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.467
local terms energy: -85.739973
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -258.858602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.858602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.858602 (E_RNA)
where:
Base-Base interactions energy: -181.306
where: short stacking energy: -70.894
Base-Backbone interact. energy: -1.886
local terms energy: -75.667075
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -19.112
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: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -196.020887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.020887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.020887 (E_RNA)
where:
Base-Base interactions energy: -120.092
where: short stacking energy: -61.274
Base-Backbone interact. energy: 0.180
local terms energy: -76.108984
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -15.696
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: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -226.425232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.425232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.425232 (E_RNA)
where:
Base-Base interactions energy: -155.931
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.089
local terms energy: -70.405471
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -223.354618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.354618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.354618 (E_RNA)
where:
Base-Base interactions energy: -152.698
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.116
local terms energy: -70.540164
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -11.798
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: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -214.334133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.334133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.334133 (E_RNA)
where:
Base-Base interactions energy: -147.875
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.365
local terms energy: -66.094457
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -13.802
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: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -154.098352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.098352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.098352 (E_RNA)
where:
Base-Base interactions energy: -98.147
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.299
local terms energy: -55.652576
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -150.007113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.007113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.007113 (E_RNA)
where:
Base-Base interactions energy: -93.033
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.156
local terms energy: -56.817825
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -155.787598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.787598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.787598 (E_RNA)
where:
Base-Base interactions energy: -96.643
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.089
local terms energy: -59.056169
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -11.888
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: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -153.184607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.184607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.184607 (E_RNA)
where:
Base-Base interactions energy: -96.206
where: short stacking energy: -53.340
Base-Backbone interact. energy: -0.186
local terms energy: -56.792227
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -266.272847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.272847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.272847 (E_RNA)
where:
Base-Base interactions energy: -187.662
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.192
local terms energy: -78.419264
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -269.003856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.003856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.003856 (E_RNA)
where:
Base-Base interactions energy: -187.145
where: short stacking energy: -77.652
Base-Backbone interact. energy: -0.195
local terms energy: -81.664404
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -234.594116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.594116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.594116 (E_RNA)
where:
Base-Base interactions energy: -165.668
where: short stacking energy: -63.584
Base-Backbone interact. energy: 0.108
local terms energy: -69.034561
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -188.846029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.846029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.846029 (E_RNA)
where:
Base-Base interactions energy: -115.033
where: short stacking energy: -63.805
Base-Backbone interact. energy: -0.031
local terms energy: -73.781882
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -232.530336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.530336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530336 (E_RNA)
where:
Base-Base interactions energy: -160.414
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.119
local terms energy: -71.996942
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -211.171698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.171698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.171698 (E_RNA)
where:
Base-Base interactions energy: -141.764
where: short stacking energy: -59.062
Base-Backbone interact. energy: -0.283
local terms energy: -69.124937
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -13.548
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: 182
Temperature: 1.200000
Total energy: -167.019541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019541 (E_RNA)
where:
Base-Base interactions energy: -107.653
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.013
local terms energy: -59.352873
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -14.941
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: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -169.522790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.522790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.522790 (E_RNA)
where:
Base-Base interactions energy: -104.827
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.149
local terms energy: -64.547438
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -15.541
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: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -151.436653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.436653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.436653 (E_RNA)
where:
Base-Base interactions energy: -85.122
where: short stacking energy: -47.387
Base-Backbone interact. energy: -0.041
local terms energy: -66.274353
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -154.074856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.074856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.074856 (E_RNA)
where:
Base-Base interactions energy: -100.765
where: short stacking energy: -51.138
Base-Backbone interact. energy: 0.655
local terms energy: -53.964668
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -270.003293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.003293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.003293 (E_RNA)
where:
Base-Base interactions energy: -187.637
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.537
local terms energy: -81.829004
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -19.003
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -275.890724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.890724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.890724 (E_RNA)
where:
Base-Base interactions energy: -187.705
where: short stacking energy: -77.181
Base-Backbone interact. energy: -1.571
local terms energy: -86.614850
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -233.627687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.627687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.627687 (E_RNA)
where:
Base-Base interactions energy: -167.862
where: short stacking energy: -69.698
Base-Backbone interact. energy: 0.426
local terms energy: -66.191292
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -232.530476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.530476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530476 (E_RNA)
where:
Base-Base interactions energy: -159.496
where: short stacking energy: -74.656
Base-Backbone interact. energy: -0.096
local terms energy: -72.938434
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -17.071
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: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -171.562986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.562986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.562986 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.185
local terms energy: -65.112843
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -7.423
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: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -208.087927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087927 (E_RNA)
where:
Base-Base interactions energy: -142.431
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.410
local terms energy: -65.247357
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -9.253
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: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -148.385391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.385391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.385391 (E_RNA)
where:
Base-Base interactions energy: -93.998
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.071
local terms energy: -54.316210
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -155.220406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.220406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.220406 (E_RNA)
where:
Base-Base interactions energy: -99.867
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.395
local terms energy: -54.958340
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -147.255977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.255977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.255977 (E_RNA)
where:
Base-Base interactions energy: -88.719
where: short stacking energy: -43.671
Base-Backbone interact. energy: -0.483
local terms energy: -58.054041
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -148.544279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.544279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.544279 (E_RNA)
where:
Base-Base interactions energy: -91.603
where: short stacking energy: -43.696
Base-Backbone interact. energy: -0.081
local terms energy: -56.860137
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -266.277713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.277713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.277713 (E_RNA)
where:
Base-Base interactions energy: -191.176
where: short stacking energy: -77.979
Base-Backbone interact. energy: 0.019
local terms energy: -75.120683
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -18.512
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: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -261.266127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.266127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.266127 (E_RNA)
where:
Base-Base interactions energy: -180.417
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.797
local terms energy: -80.052463
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -21.303
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: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -237.956607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.956607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.956607 (E_RNA)
where:
Base-Base interactions energy: -162.377
where: short stacking energy: -68.810
Base-Backbone interact. energy: -0.051
local terms energy: -75.529142
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -231.861499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.861499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.861499 (E_RNA)
where:
Base-Base interactions energy: -155.669
where: short stacking energy: -68.976
Base-Backbone interact. energy: 1.291
local terms energy: -77.483190
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -16.909
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: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -215.756668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.756668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.756668 (E_RNA)
where:
Base-Base interactions energy: -157.938
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.488
local terms energy: -57.329808
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -171.592189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.592189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.592189 (E_RNA)
where:
Base-Base interactions energy: -107.388
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.248
local terms energy: -63.955973
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -166.032863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032863 (E_RNA)
where:
Base-Base interactions energy: -99.903
where: short stacking energy: -54.127
Base-Backbone interact. energy: -0.088
local terms energy: -66.041867
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -8.994
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: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -156.174578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.174578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.174578 (E_RNA)
where:
Base-Base interactions energy: -92.482
where: short stacking energy: -38.142
Base-Backbone interact. energy: 0.097
local terms energy: -63.789191
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -83.827251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.827251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.827251 (E_RNA)
where:
Base-Base interactions energy: -30.221
where: short stacking energy: -17.425
Base-Backbone interact. energy: 2.122
local terms energy: -55.728342
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: 3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -157.383451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.383451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.383451 (E_RNA)
where:
Base-Base interactions energy: -97.368
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.478
local terms energy: -59.536668
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -270.857783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.857783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.857783 (E_RNA)
where:
Base-Base interactions energy: -189.336
where: short stacking energy: -78.067
Base-Backbone interact. energy: -0.809
local terms energy: -80.712500
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -260.736698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.736698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.736698 (E_RNA)
where:
Base-Base interactions energy: -181.919
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.370
local terms energy: -78.447368
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -21.273
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: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -235.078191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.078191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.078191 (E_RNA)
where:
Base-Base interactions energy: -159.555
where: short stacking energy: -72.332
Base-Backbone interact. energy: 0.820
local terms energy: -76.342907
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -17.904
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: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -227.900628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.900628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.900628 (E_RNA)
where:
Base-Base interactions energy: -159.111
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.819
local terms energy: -67.970400
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -8.913
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -221.472737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.472737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.472737 (E_RNA)
where:
Base-Base interactions energy: -147.981
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.409
local terms energy: -73.083153
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.796
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -163.907530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.907530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.907530 (E_RNA)
where:
Base-Base interactions energy: -98.750
where: short stacking energy: -51.958
Base-Backbone interact. energy: -0.270
local terms energy: -64.888291
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -148.762393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.762393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.762393 (E_RNA)
where:
Base-Base interactions energy: -87.002
where: short stacking energy: -47.333
Base-Backbone interact. energy: -0.060
local terms energy: -61.699964
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -155.171525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.171525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.171525 (E_RNA)
where:
Base-Base interactions energy: -98.979
where: short stacking energy: -43.014
Base-Backbone interact. energy: -0.254
local terms energy: -55.938811
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -90.960289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.960289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.960289 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -36.753
Base-Backbone interact. energy: -0.475
local terms energy: -53.188652
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -137.769556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.769556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.769556 (E_RNA)
where:
Base-Base interactions energy: -86.650
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.518
local terms energy: -50.601490
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -265.691308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.691308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.691308 (E_RNA)
where:
Base-Base interactions energy: -181.374
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.708
local terms energy: -83.609262
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -262.438368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.438368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.438368 (E_RNA)
where:
Base-Base interactions energy: -180.399
where: short stacking energy: -72.789
Base-Backbone interact. energy: -1.023
local terms energy: -81.016899
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -236.693464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.693464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.693464 (E_RNA)
where:
Base-Base interactions energy: -159.739
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.026
local terms energy: -76.928097
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -215.104869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.104869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.104869 (E_RNA)
where:
Base-Base interactions energy: -160.018
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.407
local terms energy: -54.680202
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -211.826723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.826723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.826723 (E_RNA)
where:
Base-Base interactions energy: -140.607
where: short stacking energy: -52.701
Base-Backbone interact. energy: -1.036
local terms energy: -70.183163
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -171.792458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.792458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.792458 (E_RNA)
where:
Base-Base interactions energy: -102.963
where: short stacking energy: -53.916
Base-Backbone interact. energy: -0.479
local terms energy: -68.350453
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -11.386
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: 186
Temperature: 1.200000
Total energy: -154.293253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.293253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.293253 (E_RNA)
where:
Base-Base interactions energy: -92.066
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.228
local terms energy: -61.998402
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -7.889
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: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -165.048903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.048903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.048903 (E_RNA)
where:
Base-Base interactions energy: -97.356
where: short stacking energy: -46.401
Base-Backbone interact. energy: -0.487
local terms energy: -67.205800
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -13.457
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: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -145.654994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.654994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.654994 (E_RNA)
where:
Base-Base interactions energy: -88.391
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.241
local terms energy: -57.023130
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -88.531425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.531425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.531425 (E_RNA)
where:
Base-Base interactions energy: -53.185
where: short stacking energy: -27.056
Base-Backbone interact. energy: -0.313
local terms energy: -35.033292
where:
bonds (distance) C4'-P energy: -3.481
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -271.504698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.504698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.504698 (E_RNA)
where:
Base-Base interactions energy: -186.907
where: short stacking energy: -76.432
Base-Backbone interact. energy: -0.389
local terms energy: -84.208437
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -20.947
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: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -267.770626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.770626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.770626 (E_RNA)
where:
Base-Base interactions energy: -185.668
where: short stacking energy: -77.962
Base-Backbone interact. energy: -0.753
local terms energy: -81.350346
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -22.591
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: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -229.611264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.611264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.611264 (E_RNA)
where:
Base-Base interactions energy: -156.568
where: short stacking energy: -71.155
Base-Backbone interact. energy: -0.109
local terms energy: -72.934336
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -17.989
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -209.911136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.911136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.911136 (E_RNA)
where:
Base-Base interactions energy: -141.003
where: short stacking energy: -54.168
Base-Backbone interact. energy: -0.921
local terms energy: -67.987318
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -13.973
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: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -221.440040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.440040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.440040 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.218
local terms energy: -68.371311
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -13.905
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: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -164.591106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.591106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.591106 (E_RNA)
where:
Base-Base interactions energy: -99.214
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.234
local terms energy: -65.143010
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -164.410463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.410463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.410463 (E_RNA)
where:
Base-Base interactions energy: -101.551
where: short stacking energy: -56.156
Base-Backbone interact. energy: -0.667
local terms energy: -62.192427
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -10.773
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: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -160.592114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.592114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.592114 (E_RNA)
where:
Base-Base interactions energy: -97.680
where: short stacking energy: -43.175
Base-Backbone interact. energy: -0.867
local terms energy: -62.045013
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -10.514
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: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -166.308396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.308396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.308396 (E_RNA)
where:
Base-Base interactions energy: -97.400
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.010
local terms energy: -68.897976
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.010
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: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -99.403536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403536 (E_RNA)
where:
Base-Base interactions energy: -46.625
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.464
local terms energy: -52.314772
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -268.320869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.320869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.320869 (E_RNA)
where:
Base-Base interactions energy: -182.108
where: short stacking energy: -81.553
Base-Backbone interact. energy: -1.122
local terms energy: -85.091076
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -261.597148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.597148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.597148 (E_RNA)
where:
Base-Base interactions energy: -175.249
where: short stacking energy: -71.608
Base-Backbone interact. energy: -1.385
local terms energy: -84.964049
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -222.513104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.513104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.513104 (E_RNA)
where:
Base-Base interactions energy: -149.035
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.003
local terms energy: -73.475767
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -16.822
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: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -224.306661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.306661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.306661 (E_RNA)
where:
Base-Base interactions energy: -156.542
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.793
local terms energy: -66.971628
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -14.284
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -215.733411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733411 (E_RNA)
where:
Base-Base interactions energy: -150.814
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.293
local terms energy: -64.626471
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -9.876
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: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -175.190309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.190309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.190309 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -45.318
Base-Backbone interact. energy: -1.601
local terms energy: -57.858199
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -151.972680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.972680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.972680 (E_RNA)
where:
Base-Base interactions energy: -91.884
where: short stacking energy: -50.710
Base-Backbone interact. energy: -0.036
local terms energy: -60.052290
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -8.625
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: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -156.507842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.507842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.507842 (E_RNA)
where:
Base-Base interactions energy: -102.950
where: short stacking energy: -46.333
Base-Backbone interact. energy: -0.820
local terms energy: -52.738101
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -5.419
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: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -150.255083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.255083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.255083 (E_RNA)
where:
Base-Base interactions energy: -94.449
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.103
local terms energy: -55.702581
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: 0.292
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -87.296291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.296291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.296291 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -30.816
Base-Backbone interact. energy: -0.316
local terms energy: -56.164649
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -270.145890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.145890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.145890 (E_RNA)
where:
Base-Base interactions energy: -188.176
where: short stacking energy: -76.857
Base-Backbone interact. energy: -1.167
local terms energy: -80.802496
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -270.545738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.545738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.545738 (E_RNA)
where:
Base-Base interactions energy: -192.382
where: short stacking energy: -78.761
Base-Backbone interact. energy: -0.269
local terms energy: -77.894263
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -9.646
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: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -233.203515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.203515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.203515 (E_RNA)
where:
Base-Base interactions energy: -155.480
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.160
local terms energy: -77.563571
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -234.472341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.472341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.472341 (E_RNA)
where:
Base-Base interactions energy: -155.663
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.321
local terms energy: -78.488283
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -219.105524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.105524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.105524 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.999
local terms energy: -64.480503
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -167.531467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.531467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.531467 (E_RNA)
where:
Base-Base interactions energy: -105.300
where: short stacking energy: -50.987
Base-Backbone interact. energy: -0.072
local terms energy: -62.159470
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -7.831
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: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -157.492350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.492350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.492350 (E_RNA)
where:
Base-Base interactions energy: -98.347
where: short stacking energy: -48.846
Base-Backbone interact. energy: -0.095
local terms energy: -59.050105
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -152.114402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.114402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.114402 (E_RNA)
where:
Base-Base interactions energy: -92.578
where: short stacking energy: -48.185
Base-Backbone interact. energy: -0.066
local terms energy: -59.470237
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -7.708
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: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -145.930682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.930682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.930682 (E_RNA)
where:
Base-Base interactions energy: -84.418
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.519
local terms energy: -60.993921
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.495
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: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -98.837748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.837748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.837748 (E_RNA)
where:
Base-Base interactions energy: -52.414
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.149
local terms energy: -46.275053
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -2.427
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: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -277.222625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.222625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.222625 (E_RNA)
where:
Base-Base interactions energy: -192.299
where: short stacking energy: -79.832
Base-Backbone interact. energy: -0.162
local terms energy: -84.761728
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -266.404342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.404342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.404342 (E_RNA)
where:
Base-Base interactions energy: -180.540
where: short stacking energy: -78.597
Base-Backbone interact. energy: -1.059
local terms energy: -84.805050
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -234.643921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.643921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.643921 (E_RNA)
where:
Base-Base interactions energy: -160.145
where: short stacking energy: -66.903
Base-Backbone interact. energy: -1.650
local terms energy: -72.849100
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -17.506
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: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -227.621066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.621066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.621066 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -68.552
Base-Backbone interact. energy: 0.216
local terms energy: -72.795123
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -220.948423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.948423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.948423 (E_RNA)
where:
Base-Base interactions energy: -155.781
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.246
local terms energy: -64.921837
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -172.923381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.923381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.923381 (E_RNA)
where:
Base-Base interactions energy: -109.641
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.109
local terms energy: -63.173480
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -15.114
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: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -161.094738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.094738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.094738 (E_RNA)
where:
Base-Base interactions energy: -96.221
where: short stacking energy: -49.060
Base-Backbone interact. energy: -0.082
local terms energy: -64.791381
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -9.575
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: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -154.942377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.942377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.942377 (E_RNA)
where:
Base-Base interactions energy: -94.140
where: short stacking energy: -47.439
Base-Backbone interact. energy: -0.210
local terms energy: -60.591882
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -159.972315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.972315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.972315 (E_RNA)
where:
Base-Base interactions energy: -110.550
where: short stacking energy: -43.582
Base-Backbone interact. energy: -0.237
local terms energy: -49.185903
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -94.054737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.054737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.054737 (E_RNA)
where:
Base-Base interactions energy: -45.161
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.298
local terms energy: -48.596082
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -269.315326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.315326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.315326 (E_RNA)
where:
Base-Base interactions energy: -185.002
where: short stacking energy: -79.658
Base-Backbone interact. energy: -1.735
local terms energy: -82.578565
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -261.659011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.659011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.659011 (E_RNA)
where:
Base-Base interactions energy: -176.201
where: short stacking energy: -74.584
Base-Backbone interact. energy: -1.480
local terms energy: -83.978415
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -226.343734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.343734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.343734 (E_RNA)
where:
Base-Base interactions energy: -157.804
where: short stacking energy: -48.573
Base-Backbone interact. energy: -1.354
local terms energy: -67.186215
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -229.651867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.651867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.651867 (E_RNA)
where:
Base-Base interactions energy: -165.483
where: short stacking energy: -64.722
Base-Backbone interact. energy: 0.394
local terms energy: -64.562945
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -13.195
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: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -233.480085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.480085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.480085 (E_RNA)
where:
Base-Base interactions energy: -165.240
where: short stacking energy: -77.092
Base-Backbone interact. energy: -0.091
local terms energy: -68.149001
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -178.319184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.319184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.319184 (E_RNA)
where:
Base-Base interactions energy: -109.773
where: short stacking energy: -55.769
Base-Backbone interact. energy: -0.012
local terms energy: -68.534917
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -160.430685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.430685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.430685 (E_RNA)
where:
Base-Base interactions energy: -102.713
where: short stacking energy: -52.384
Base-Backbone interact. energy: -0.755
local terms energy: -56.963195
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -165.090502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.090502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.090502 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -49.995
Base-Backbone interact. energy: -1.086
local terms energy: -68.274119
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -13.242
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: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -151.858437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.858437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.858437 (E_RNA)
where:
Base-Base interactions energy: -90.595
where: short stacking energy: -46.184
Base-Backbone interact. energy: -0.163
local terms energy: -61.099625
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.809
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: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -93.687734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.687734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.687734 (E_RNA)
where:
Base-Base interactions energy: -41.248
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.094
local terms energy: -52.346417
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -265.296071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.296071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.296071 (E_RNA)
where:
Base-Base interactions energy: -177.412
where: short stacking energy: -69.851
Base-Backbone interact. energy: -1.154
local terms energy: -86.730121
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -267.527548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.527548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.527548 (E_RNA)
where:
Base-Base interactions energy: -188.601
where: short stacking energy: -76.598
Base-Backbone interact. energy: -1.227
local terms energy: -77.699386
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -226.637202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.637202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.637202 (E_RNA)
where:
Base-Base interactions energy: -150.742
where: short stacking energy: -54.042
Base-Backbone interact. energy: -1.355
local terms energy: -74.540123
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -228.154703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.154703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.154703 (E_RNA)
where:
Base-Base interactions energy: -156.321
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.301
local terms energy: -71.533503
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -15.810
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: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -234.161961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.161961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.161961 (E_RNA)
where:
Base-Base interactions energy: -165.259
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.434
local terms energy: -68.469779
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -174.026016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.026016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.026016 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.051
local terms energy: -68.253283
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -13.336
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: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -154.428794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.428794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.428794 (E_RNA)
where:
Base-Base interactions energy: -92.579
where: short stacking energy: -37.803
Base-Backbone interact. energy: -0.461
local terms energy: -61.388833
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -168.585962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.585962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.585962 (E_RNA)
where:
Base-Base interactions energy: -107.790
where: short stacking energy: -54.339
Base-Backbone interact. energy: -0.321
local terms energy: -60.474525
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -11.699
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: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -162.300682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.300682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.300682 (E_RNA)
where:
Base-Base interactions energy: -100.559
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.132
local terms energy: -61.609474
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -137.135716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.135716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.135716 (E_RNA)
where:
Base-Base interactions energy: -80.616
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.181
local terms energy: -56.338655
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -268.299596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.299596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.299596 (E_RNA)
where:
Base-Base interactions energy: -185.811
where: short stacking energy: -82.063
Base-Backbone interact. energy: -1.299
local terms energy: -81.189568
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -23.771
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: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -261.471900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.471900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.471900 (E_RNA)
where:
Base-Base interactions energy: -181.609
where: short stacking energy: -70.556
Base-Backbone interact. energy: -1.071
local terms energy: -78.791855
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -21.313
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: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -229.753101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.753101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.753101 (E_RNA)
where:
Base-Base interactions energy: -161.897
where: short stacking energy: -64.806
Base-Backbone interact. energy: -0.200
local terms energy: -67.655686
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -17.479
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: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -237.203998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.203998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.203998 (E_RNA)
where:
Base-Base interactions energy: -164.842
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.510
local terms energy: -71.851441
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -209.040904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.040904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040904 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.761
local terms energy: -61.635085
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -13.826
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: 193
Temperature: 1.150000
Total energy: -153.023463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.023463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.023463 (E_RNA)
where:
Base-Base interactions energy: -93.722
where: short stacking energy: -46.068
Base-Backbone interact. energy: -0.036
local terms energy: -59.265763
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -169.357463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.357463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.357463 (E_RNA)
where:
Base-Base interactions energy: -107.895
where: short stacking energy: -60.916
Base-Backbone interact. energy: -0.001
local terms energy: -61.461465
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -167.608857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.608857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.608857 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -57.449
Base-Backbone interact. energy: 1.520
local terms energy: -57.828988
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -151.354175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.354175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.354175 (E_RNA)
where:
Base-Base interactions energy: -88.356
where: short stacking energy: -45.675
Base-Backbone interact. energy: -1.114
local terms energy: -61.884008
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -141.787056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.787056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.787056 (E_RNA)
where:
Base-Base interactions energy: -92.402
where: short stacking energy: -41.289
Base-Backbone interact. energy: -0.682
local terms energy: -48.703667
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -8.130
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -270.088979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.088979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.088979 (E_RNA)
where:
Base-Base interactions energy: -182.169
where: short stacking energy: -73.418
Base-Backbone interact. energy: -0.031
local terms energy: -87.889174
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -263.576436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.576436 (E_RNA)
where:
Base-Base interactions energy: -184.585
where: short stacking energy: -78.144
Base-Backbone interact. energy: -0.645
local terms energy: -78.346716
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -18.303
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: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -246.918950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.918950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.918950 (E_RNA)
where:
Base-Base interactions energy: -177.411
where: short stacking energy: -74.054
Base-Backbone interact. energy: -0.706
local terms energy: -68.801145
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -226.342823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.342823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.342823 (E_RNA)
where:
Base-Base interactions energy: -154.816
where: short stacking energy: -65.726
Base-Backbone interact. energy: -1.666
local terms energy: -69.860610
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -16.583
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: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -227.448901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.448901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.448901 (E_RNA)
where:
Base-Base interactions energy: -164.176
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.195
local terms energy: -63.077924
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -16.392
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: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -137.078173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.078173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.078173 (E_RNA)
where:
Base-Base interactions energy: -79.669
where: short stacking energy: -44.563
Base-Backbone interact. energy: -0.152
local terms energy: -57.256730
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -8.413
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: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -173.386903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.386903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.386903 (E_RNA)
where:
Base-Base interactions energy: -106.131
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.076
local terms energy: -67.179263
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -14.324
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -169.795284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.795284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.795284 (E_RNA)
where:
Base-Base interactions energy: -109.744
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.155
local terms energy: -59.896942
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -10.057
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: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -144.705384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.705384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.705384 (E_RNA)
where:
Base-Base interactions energy: -90.446
where: short stacking energy: -46.792
Base-Backbone interact. energy: -0.020
local terms energy: -54.240138
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -8.866
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: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -147.704752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.704752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.704752 (E_RNA)
where:
Base-Base interactions energy: -98.364
where: short stacking energy: -52.735
Base-Backbone interact. energy: 0.583
local terms energy: -49.924102
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -7.133
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: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -264.826758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.826758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.826758 (E_RNA)
where:
Base-Base interactions energy: -182.605
where: short stacking energy: -72.847
Base-Backbone interact. energy: -0.054
local terms energy: -82.167789
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -260.639354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.639354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.639354 (E_RNA)
where:
Base-Base interactions energy: -178.262
where: short stacking energy: -70.377
Base-Backbone interact. energy: -0.335
local terms energy: -82.042599
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -247.646322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.646322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.646322 (E_RNA)
where:
Base-Base interactions energy: -172.166
where: short stacking energy: -70.478
Base-Backbone interact. energy: -0.025
local terms energy: -75.454761
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -232.137863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.137863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.137863 (E_RNA)
where:
Base-Base interactions energy: -156.846
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.149
local terms energy: -75.142880
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -226.776639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.776639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.776639 (E_RNA)
where:
Base-Base interactions energy: -157.798
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.427
local terms energy: -68.551703
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -15.979
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: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -183.192002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.192002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.192002 (E_RNA)
where:
Base-Base interactions energy: -114.874
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.202
local terms energy: -68.115500
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -15.114
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -140.890324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.890324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.890324 (E_RNA)
where:
Base-Base interactions energy: -84.400
where: short stacking energy: -40.558
Base-Backbone interact. energy: -0.203
local terms energy: -56.287816
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -163.612387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.612387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.612387 (E_RNA)
where:
Base-Base interactions energy: -103.363
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.164
local terms energy: -60.085320
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -85.177255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.177255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.177255 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -31.838
Base-Backbone interact. energy: -0.106
local terms energy: -53.233854
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -143.278148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.278148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.278148 (E_RNA)
where:
Base-Base interactions energy: -87.901
where: short stacking energy: -39.143
Base-Backbone interact. energy: -0.243
local terms energy: -55.133838
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -264.633378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.633378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.633378 (E_RNA)
where:
Base-Base interactions energy: -186.720
where: short stacking energy: -78.466
Base-Backbone interact. energy: 0.123
local terms energy: -78.035711
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -21.259
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -262.955609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.955609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.955609 (E_RNA)
where:
Base-Base interactions energy: -181.077
where: short stacking energy: -74.338
Base-Backbone interact. energy: -0.114
local terms energy: -81.764199
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -21.385
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -238.776595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.776595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.776595 (E_RNA)
where:
Base-Base interactions energy: -160.878
where: short stacking energy: -71.148
Base-Backbone interact. energy: -1.155
local terms energy: -76.743413
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -15.677
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: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -243.561674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.561674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.561674 (E_RNA)
where:
Base-Base interactions energy: -163.528
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.597
local terms energy: -79.437243
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -165.156718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.156718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.156718 (E_RNA)
where:
Base-Base interactions energy: -103.085
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.120
local terms energy: -61.950871
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -217.685127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.685127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.685127 (E_RNA)
where:
Base-Base interactions energy: -144.046
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.388
local terms energy: -73.251693
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -158.107937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.107937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.107937 (E_RNA)
where:
Base-Base interactions energy: -100.682
where: short stacking energy: -40.763
Base-Backbone interact. energy: -0.218
local terms energy: -57.207374
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -133.929324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.929324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.929324 (E_RNA)
where:
Base-Base interactions energy: -74.490
where: short stacking energy: -40.023
Base-Backbone interact. energy: 0.010
local terms energy: -59.449512
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -138.405996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.405996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.405996 (E_RNA)
where:
Base-Base interactions energy: -84.068
where: short stacking energy: -39.372
Base-Backbone interact. energy: -0.255
local terms energy: -54.083277
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -96.773269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.773269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.773269 (E_RNA)
where:
Base-Base interactions energy: -53.227
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.243
local terms energy: -43.302825
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -269.146716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.146716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.146716 (E_RNA)
where:
Base-Base interactions energy: -193.140
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.609
local terms energy: -75.397164
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -20.234
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: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -234.203389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.203389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.203389 (E_RNA)
where:
Base-Base interactions energy: -165.622
where: short stacking energy: -70.994
Base-Backbone interact. energy: -1.045
local terms energy: -67.536199
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -262.483663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.483663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.483663 (E_RNA)
where:
Base-Base interactions energy: -187.724
where: short stacking energy: -73.795
Base-Backbone interact. energy: 0.119
local terms energy: -74.878592
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -22.080
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: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -239.448955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.448955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.448955 (E_RNA)
where:
Base-Base interactions energy: -170.623
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.153
local terms energy: -68.672571
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -16.195
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -181.182398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.182398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.182398 (E_RNA)
where:
Base-Base interactions energy: -113.312
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.095
local terms energy: -67.775477
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -14.776
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: 197
Temperature: 1.150000
Total energy: -166.087227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.087227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.087227 (E_RNA)
where:
Base-Base interactions energy: -100.975
where: short stacking energy: -44.236
Base-Backbone interact. energy: 0.821
local terms energy: -65.932835
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -7.509
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: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -197.660329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.660329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.660329 (E_RNA)
where:
Base-Base interactions energy: -131.952
where: short stacking energy: -56.235
Base-Backbone interact. energy: -1.632
local terms energy: -64.076482
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -150.889487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.889487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.889487 (E_RNA)
where:
Base-Base interactions energy: -96.368
where: short stacking energy: -45.153
Base-Backbone interact. energy: -0.787
local terms energy: -53.733823
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -4.407
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: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -135.384238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.384238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.384238 (E_RNA)
where:
Base-Base interactions energy: -76.630
where: short stacking energy: -31.997
Base-Backbone interact. energy: 0.353
local terms energy: -59.107582
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -87.194911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.194911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.194911 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -23.777
Base-Backbone interact. energy: -0.315
local terms energy: -47.694097
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -263.870710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.870710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.870710 (E_RNA)
where:
Base-Base interactions energy: -188.375
where: short stacking energy: -79.546
Base-Backbone interact. energy: -0.024
local terms energy: -75.471330
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -19.685
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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -244.490206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.490206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.490206 (E_RNA)
where:
Base-Base interactions energy: -170.099
where: short stacking energy: -71.619
Base-Backbone interact. energy: -0.200
local terms energy: -74.191257
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -16.922
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: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -239.299197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.299197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.299197 (E_RNA)
where:
Base-Base interactions energy: -165.804
where: short stacking energy: -69.217
Base-Backbone interact. energy: -0.423
local terms energy: -73.072171
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -257.332284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.332284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.332284 (E_RNA)
where:
Base-Base interactions energy: -182.521
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.667
local terms energy: -74.145045
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -162.390817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.390817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.390817 (E_RNA)
where:
Base-Base interactions energy: -95.849
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.625
local terms energy: -65.917458
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -11.582
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: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -170.970831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.970831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.970831 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -60.300
Base-Backbone interact. energy: -0.095
local terms energy: -62.213057
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -11.032
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: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -158.664494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.664494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.664494 (E_RNA)
where:
Base-Base interactions energy: -103.330
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.497
local terms energy: -54.837823
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -202.296836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.296836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.296836 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.233
local terms energy: -65.378895
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -11.415
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: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -88.157563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157563 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -31.175
Base-Backbone interact. energy: -0.015
local terms energy: -53.647028
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -5.885
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: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -153.082365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.082365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.082365 (E_RNA)
where:
Base-Base interactions energy: -91.796
where: short stacking energy: -44.835
Base-Backbone interact. energy: -0.364
local terms energy: -60.923015
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -268.493304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.493304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.493304 (E_RNA)
where:
Base-Base interactions energy: -189.931
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.032
local terms energy: -78.530110
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -21.308
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: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -245.887814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.887814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.887814 (E_RNA)
where:
Base-Base interactions energy: -167.837
where: short stacking energy: -68.114
Base-Backbone interact. energy: -0.230
local terms energy: -77.820895
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -16.189
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -236.748480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.748480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.748480 (E_RNA)
where:
Base-Base interactions energy: -167.465
where: short stacking energy: -71.912
Base-Backbone interact. energy: 0.128
local terms energy: -69.411112
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -260.483198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.483198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.483198 (E_RNA)
where:
Base-Base interactions energy: -180.599
where: short stacking energy: -70.831
Base-Backbone interact. energy: -0.047
local terms energy: -79.837937
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.270
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: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -183.656196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.656196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.656196 (E_RNA)
where:
Base-Base interactions energy: -116.804
where: short stacking energy: -71.329
Base-Backbone interact. energy: -0.016
local terms energy: -66.835753
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -17.617
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: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -175.676728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676728 (E_RNA)
where:
Base-Base interactions energy: -111.051
where: short stacking energy: -58.987
Base-Backbone interact. energy: -0.030
local terms energy: -64.595624
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -162.314038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.314038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.314038 (E_RNA)
where:
Base-Base interactions energy: -106.447
where: short stacking energy: -56.710
Base-Backbone interact. energy: -0.447
local terms energy: -55.420741
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -204.072745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.072745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.072745 (E_RNA)
where:
Base-Base interactions energy: -144.042
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.128
local terms energy: -59.902856
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -11.415
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: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -84.650782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.650782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.650782 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -30.638
Base-Backbone interact. energy: 2.385
local terms energy: -50.804555
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -9.187
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: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -144.853055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.853055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.853055 (E_RNA)
where:
Base-Base interactions energy: -85.494
where: short stacking energy: -41.825
Base-Backbone interact. energy: -0.183
local terms energy: -59.175839
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -273.395992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.395992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.395992 (E_RNA)
where:
Base-Base interactions energy: -194.562
where: short stacking energy: -79.612
Base-Backbone interact. energy: -0.370
local terms energy: -78.464541
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.181
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: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -246.568210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.568210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.568210 (E_RNA)
where:
Base-Base interactions energy: -171.766
where: short stacking energy: -78.925
Base-Backbone interact. energy: -0.973
local terms energy: -73.828677
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -256.811893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.811893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.811893 (E_RNA)
where:
Base-Base interactions energy: -174.656
where: short stacking energy: -66.009
Base-Backbone interact. energy: -1.555
local terms energy: -80.600146
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -19.006
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: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -233.055459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.055459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055459 (E_RNA)
where:
Base-Base interactions energy: -156.629
where: short stacking energy: -61.335
Base-Backbone interact. energy: -0.199
local terms energy: -76.227753
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -168.276692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.276692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.276692 (E_RNA)
where:
Base-Base interactions energy: -105.455
where: short stacking energy: -57.569
Base-Backbone interact. energy: 0.291
local terms energy: -63.112527
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -6.892
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: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -182.028018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.028018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.028018 (E_RNA)
where:
Base-Base interactions energy: -113.347
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.037
local terms energy: -68.643697
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -197.536103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.536103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.536103 (E_RNA)
where:
Base-Base interactions energy: -125.798
where: short stacking energy: -54.010
Base-Backbone interact. energy: -0.286
local terms energy: -71.452043
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -179.610276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.610276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.610276 (E_RNA)
where:
Base-Base interactions energy: -116.983
where: short stacking energy: -63.896
Base-Backbone interact. energy: 1.201
local terms energy: -63.829125
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -151.415189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.415189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.415189 (E_RNA)
where:
Base-Base interactions energy: -95.159
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.109
local terms energy: -56.147211
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -86.247909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.247909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.247909 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -32.095
Base-Backbone interact. energy: 1.161
local terms energy: -55.313009
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -266.832725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.832725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.832725 (E_RNA)
where:
Base-Base interactions energy: -184.815
where: short stacking energy: -77.877
Base-Backbone interact. energy: -0.646
local terms energy: -81.371624
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -256.989215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.989215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.989215 (E_RNA)
where:
Base-Base interactions energy: -176.969
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.347
local terms energy: -79.673100
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -252.734781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.734781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.734781 (E_RNA)
where:
Base-Base interactions energy: -177.528
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.166
local terms energy: -75.040615
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -16.384
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: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -222.125631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.125631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.125631 (E_RNA)
where:
Base-Base interactions energy: -147.564
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.728
local terms energy: -73.833655
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.164
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: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -182.213624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.213624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.213624 (E_RNA)
where:
Base-Base interactions energy: -109.540
where: short stacking energy: -50.190
Base-Backbone interact. energy: 0.190
local terms energy: -72.863139
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -204.564614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.564614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.564614 (E_RNA)
where:
Base-Base interactions energy: -134.552
where: short stacking energy: -53.129
Base-Backbone interact. energy: -0.567
local terms energy: -69.445096
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -175.751787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.751787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.751787 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.010
local terms energy: -71.746781
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -147.818551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.818551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.818551 (E_RNA)
where:
Base-Base interactions energy: -87.784
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.017
local terms energy: -60.018092
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -140.907957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.907957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.907957 (E_RNA)
where:
Base-Base interactions energy: -85.364
where: short stacking energy: -45.453
Base-Backbone interact. energy: -0.215
local terms energy: -55.328963
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -4.159
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: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -94.427426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427426 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.167
local terms energy: -55.493749
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -260.101618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.101618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.101618 (E_RNA)
where:
Base-Base interactions energy: -182.321
where: short stacking energy: -72.818
Base-Backbone interact. energy: -1.623
local terms energy: -76.157637
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -276.474088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.474088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.474088 (E_RNA)
where:
Base-Base interactions energy: -198.609
where: short stacking energy: -78.404
Base-Backbone interact. energy: -0.542
local terms energy: -77.323516
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -244.908402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.908402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.908402 (E_RNA)
where:
Base-Base interactions energy: -168.295
where: short stacking energy: -70.107
Base-Backbone interact. energy: -0.707
local terms energy: -75.905409
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -12.292
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: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -218.888800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.888800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.888800 (E_RNA)
where:
Base-Base interactions energy: -149.903
where: short stacking energy: -54.491
Base-Backbone interact. energy: -1.054
local terms energy: -67.931265
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -14.255
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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -212.967785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.967785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.967785 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -55.421
Base-Backbone interact. energy: -2.475
local terms energy: -68.532919
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -167.546036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.546036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.546036 (E_RNA)
where:
Base-Base interactions energy: -102.160
where: short stacking energy: -56.105
Base-Backbone interact. energy: 0.970
local terms energy: -66.355571
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -166.005202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.005202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.005202 (E_RNA)
where:
Base-Base interactions energy: -104.430
where: short stacking energy: -54.227
Base-Backbone interact. energy: -0.004
local terms energy: -61.571494
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -166.792637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.792637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.792637 (E_RNA)
where:
Base-Base interactions energy: -101.229
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.002
local terms energy: -65.561662
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.706
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: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -156.488393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.488393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.488393 (E_RNA)
where:
Base-Base interactions energy: -96.842
where: short stacking energy: -44.708
Base-Backbone interact. energy: -0.166
local terms energy: -59.481141
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -11.393
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: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -85.652002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.652002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.652002 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.038
local terms energy: -45.901229
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -266.116523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.116523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.116523 (E_RNA)
where:
Base-Base interactions energy: -186.213
where: short stacking energy: -78.918
Base-Backbone interact. energy: -0.705
local terms energy: -79.198412
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -270.127860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.127860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.127860 (E_RNA)
where:
Base-Base interactions energy: -191.588
where: short stacking energy: -72.392
Base-Backbone interact. energy: -0.620
local terms energy: -77.919055
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -249.241203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.241203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.241203 (E_RNA)
where:
Base-Base interactions energy: -172.520
where: short stacking energy: -70.155
Base-Backbone interact. energy: -0.792
local terms energy: -75.929758
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -218.606766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.606766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.606766 (E_RNA)
where:
Base-Base interactions energy: -148.519
where: short stacking energy: -61.960
Base-Backbone interact. energy: -1.506
local terms energy: -68.581972
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -12.257
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: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -214.897380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.897380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.897380 (E_RNA)
where:
Base-Base interactions energy: -153.925
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.153
local terms energy: -60.819883
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -175.051321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.051321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.051321 (E_RNA)
where:
Base-Base interactions energy: -105.212
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.088
local terms energy: -69.751373
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -154.975153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.975153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.975153 (E_RNA)
where:
Base-Base interactions energy: -98.415
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.228
local terms energy: -56.332247
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -158.013522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.013522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.013522 (E_RNA)
where:
Base-Base interactions energy: -98.281
where: short stacking energy: -53.791
Base-Backbone interact. energy: -0.059
local terms energy: -59.673857
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -11.147
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: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -139.209712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.209712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.209712 (E_RNA)
where:
Base-Base interactions energy: -79.441
where: short stacking energy: -42.727
Base-Backbone interact. energy: -0.833
local terms energy: -58.936295
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -5.757
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: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -74.937968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.937968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.937968 (E_RNA)
where:
Base-Base interactions energy: -23.713
where: short stacking energy: -16.858
Base-Backbone interact. energy: -0.262
local terms energy: -50.962697
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: 5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -275.333082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.333082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.333082 (E_RNA)
where:
Base-Base interactions energy: -197.342
where: short stacking energy: -79.307
Base-Backbone interact. energy: -0.007
local terms energy: -77.984314
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -22.819
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: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -260.708189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.708189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.708189 (E_RNA)
where:
Base-Base interactions energy: -186.053
where: short stacking energy: -80.006
Base-Backbone interact. energy: -0.689
local terms energy: -73.965558
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -229.524767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.524767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.524767 (E_RNA)
where:
Base-Base interactions energy: -162.742
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.216
local terms energy: -66.567325
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -243.955066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.955066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.955066 (E_RNA)
where:
Base-Base interactions energy: -169.971
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.140
local terms energy: -73.843819
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -12.210
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: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -223.933470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.933470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.933470 (E_RNA)
where:
Base-Base interactions energy: -158.522
where: short stacking energy: -59.573
Base-Backbone interact. energy: -1.461
local terms energy: -63.949962
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -196.526136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.526136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.526136 (E_RNA)
where:
Base-Base interactions energy: -134.258
where: short stacking energy: -51.954
Base-Backbone interact. energy: 0.351
local terms energy: -62.619269
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -10.561
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -164.724985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.724985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.724985 (E_RNA)
where:
Base-Base interactions energy: -95.591
where: short stacking energy: -45.986
Base-Backbone interact. energy: -0.057
local terms energy: -69.076682
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -6.627
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -154.119250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.119250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.119250 (E_RNA)
where:
Base-Base interactions energy: -97.244
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.129
local terms energy: -56.745856
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -109.346360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.346360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.346360 (E_RNA)
where:
Base-Base interactions energy: -54.552
where: short stacking energy: -29.025
Base-Backbone interact. energy: -0.009
local terms energy: -54.785408
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -159.318604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.318604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.318604 (E_RNA)
where:
Base-Base interactions energy: -99.237
where: short stacking energy: -51.287
Base-Backbone interact. energy: -0.228
local terms energy: -59.853365
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.550
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: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -266.402369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.402369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.402369 (E_RNA)
where:
Base-Base interactions energy: -189.274
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.585
local terms energy: -76.543494
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -264.926601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.926601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.926601 (E_RNA)
where:
Base-Base interactions energy: -194.027
where: short stacking energy: -77.397
Base-Backbone interact. energy: -0.613
local terms energy: -70.286305
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -237.661634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.661634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.661634 (E_RNA)
where:
Base-Base interactions energy: -161.266
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.195
local terms energy: -76.200781
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -228.336778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.336778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.336778 (E_RNA)
where:
Base-Base interactions energy: -158.224
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.349
local terms energy: -69.763579
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -12.118
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: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -220.425597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425597 (E_RNA)
where:
Base-Base interactions energy: -148.402
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.559
local terms energy: -71.464048
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -228.806545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.806545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.806545 (E_RNA)
where:
Base-Base interactions energy: -160.062
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.120
local terms energy: -68.624695
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -6.713
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: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -177.015516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.015516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.015516 (E_RNA)
where:
Base-Base interactions energy: -118.054
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.183
local terms energy: -58.778737
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.529
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)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -144.614062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.614062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.614062 (E_RNA)
where:
Base-Base interactions energy: -92.819
where: short stacking energy: -39.694
Base-Backbone interact. energy: -0.490
local terms energy: -51.304525
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -7.304
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: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -78.765082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.765082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.765082 (E_RNA)
where:
Base-Base interactions energy: -28.023
where: short stacking energy: -23.664
Base-Backbone interact. energy: -0.341
local terms energy: -50.401350
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -148.097168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.097168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.097168 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.287
local terms energy: -46.001532
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -265.457940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.457940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.457940 (E_RNA)
where:
Base-Base interactions energy: -183.527
where: short stacking energy: -73.750
Base-Backbone interact. energy: -0.209
local terms energy: -81.722028
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -11.942
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: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -268.518871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.518871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.518871 (E_RNA)
where:
Base-Base interactions energy: -189.351
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.009
local terms energy: -79.159686
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -239.600407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.600407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.600407 (E_RNA)
where:
Base-Base interactions energy: -164.799
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.981
local terms energy: -73.819593
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -227.066642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.066642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.066642 (E_RNA)
where:
Base-Base interactions energy: -157.527
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.485
local terms energy: -69.053981
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -10.704
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: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -209.955252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.955252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.955252 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.028
local terms energy: -75.470852
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -15.231
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: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -208.448868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.448868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.448868 (E_RNA)
where:
Base-Base interactions energy: -148.754
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.348
local terms energy: -59.346234
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -14.593
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -163.070449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.070449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.070449 (E_RNA)
where:
Base-Base interactions energy: -98.882
where: short stacking energy: -47.206
Base-Backbone interact. energy: -0.587
local terms energy: -63.600739
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -147.011247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.011247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.011247 (E_RNA)
where:
Base-Base interactions energy: -91.824
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.455
local terms energy: -54.732352
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -144.439375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.439375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.439375 (E_RNA)
where:
Base-Base interactions energy: -97.729
where: short stacking energy: -43.812
Base-Backbone interact. energy: 1.380
local terms energy: -48.090678
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -88.960080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960080 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.006
local terms energy: -55.579255
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -272.034333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.034333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.034333 (E_RNA)
where:
Base-Base interactions energy: -189.316
where: short stacking energy: -75.175
Base-Backbone interact. energy: -0.004
local terms energy: -82.714578
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -241.420896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.420896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.420896 (E_RNA)
where:
Base-Base interactions energy: -160.003
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.187
local terms energy: -81.230899
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -256.850789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.850789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.850789 (E_RNA)
where:
Base-Base interactions energy: -177.978
where: short stacking energy: -67.195
Base-Backbone interact. energy: -1.740
local terms energy: -77.132867
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -224.412820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.412820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.412820 (E_RNA)
where:
Base-Base interactions energy: -154.469
where: short stacking energy: -67.679
Base-Backbone interact. energy: -0.071
local terms energy: -69.872724
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -226.104588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.104588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.104588 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.459
local terms energy: -69.879667
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -13.589
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: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -221.989231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.989231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.989231 (E_RNA)
where:
Base-Base interactions energy: -151.612
where: short stacking energy: -59.843
Base-Backbone interact. energy: -0.141
local terms energy: -70.236240
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -14.315
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: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -165.918922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.918922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.918922 (E_RNA)
where:
Base-Base interactions energy: -102.278
where: short stacking energy: -44.419
Base-Backbone interact. energy: -0.182
local terms energy: -63.458937
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -6.426
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -156.961154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.961154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.961154 (E_RNA)
where:
Base-Base interactions energy: -91.739
where: short stacking energy: -48.492
Base-Backbone interact. energy: -0.251
local terms energy: -64.971220
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -153.236448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.236448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.236448 (E_RNA)
where:
Base-Base interactions energy: -95.963
where: short stacking energy: -53.081
Base-Backbone interact. energy: -0.143
local terms energy: -57.130663
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -92.890857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.890857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.890857 (E_RNA)
where:
Base-Base interactions energy: -48.791
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.044
local terms energy: -44.055731
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -5.847
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -269.577742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.577742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.577742 (E_RNA)
where:
Base-Base interactions energy: -185.450
where: short stacking energy: -81.099
Base-Backbone interact. energy: -0.364
local terms energy: -83.764317
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -251.035609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.035609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.035609 (E_RNA)
where:
Base-Base interactions energy: -176.900
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.097
local terms energy: -74.038524
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -12.575
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: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -233.013861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.013861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.013861 (E_RNA)
where:
Base-Base interactions energy: -161.082
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.167
local terms energy: -71.764882
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -11.517
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: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -250.717119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.717119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.717119 (E_RNA)
where:
Base-Base interactions energy: -181.029
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.272
local terms energy: -69.415956
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -229.366764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.366764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.366764 (E_RNA)
where:
Base-Base interactions energy: -167.866
where: short stacking energy: -67.176
Base-Backbone interact. energy: -0.689
local terms energy: -60.811842
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -15.280
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -207.520371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.520371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.520371 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -58.704
Base-Backbone interact. energy: 0.612
local terms energy: -66.501962
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -157.412614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.412614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.412614 (E_RNA)
where:
Base-Base interactions energy: -106.345
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.414
local terms energy: -50.654158
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -170.301074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.301074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.301074 (E_RNA)
where:
Base-Base interactions energy: -101.345
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.022
local terms energy: -68.933275
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -145.168480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.168480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.168480 (E_RNA)
where:
Base-Base interactions energy: -88.740
where: short stacking energy: -40.523
Base-Backbone interact. energy: -2.264
local terms energy: -54.164801
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -8.492
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: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -78.269172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.269172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.269172 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -27.456
Base-Backbone interact. energy: -0.118
local terms energy: -41.581880
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: 1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -271.630421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.630421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.630421 (E_RNA)
where:
Base-Base interactions energy: -184.294
where: short stacking energy: -82.415
Base-Backbone interact. energy: -1.802
local terms energy: -85.533521
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -240.851396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.851396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.851396 (E_RNA)
where:
Base-Base interactions energy: -171.130
where: short stacking energy: -67.510
Base-Backbone interact. energy: -0.230
local terms energy: -69.491361
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -11.448
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -243.672415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.672415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.672415 (E_RNA)
where:
Base-Base interactions energy: -168.063
where: short stacking energy: -74.882
Base-Backbone interact. energy: -0.647
local terms energy: -74.962970
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -17.841
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: 209
Temperature: 1.050000
Total energy: -261.361869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.361869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.361869 (E_RNA)
where:
Base-Base interactions energy: -184.963
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.013
local terms energy: -76.386206
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.269
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: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -225.692392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.692392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.692392 (E_RNA)
where:
Base-Base interactions energy: -148.230
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.670
local terms energy: -76.792301
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -203.512183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.512183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.512183 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -53.006
Base-Backbone interact. energy: -0.469
local terms energy: -62.409614
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -168.157788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.157788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.157788 (E_RNA)
where:
Base-Base interactions energy: -105.526
where: short stacking energy: -45.425
Base-Backbone interact. energy: 0.955
local terms energy: -63.586673
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -152.766702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.766702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.766702 (E_RNA)
where:
Base-Base interactions energy: -97.321
where: short stacking energy: -50.337
Base-Backbone interact. energy: 1.323
local terms energy: -56.768707
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -151.572329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.572329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.572329 (E_RNA)
where:
Base-Base interactions energy: -98.478
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.070
local terms energy: -53.024744
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -10.876
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: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -77.471047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.471047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.471047 (E_RNA)
where:
Base-Base interactions energy: -24.181
where: short stacking energy: -20.992
Base-Backbone interact. energy: -0.274
local terms energy: -53.016279
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -4.297
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: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -266.334471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.334471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.334471 (E_RNA)
where:
Base-Base interactions energy: -186.998
where: short stacking energy: -79.046
Base-Backbone interact. energy: -0.005
local terms energy: -79.330599
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -23.039
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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -236.871610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.871610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.871610 (E_RNA)
where:
Base-Base interactions energy: -165.585
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.127
local terms energy: -71.160096
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -14.168
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: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -260.958394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.958394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.958394 (E_RNA)
where:
Base-Base interactions energy: -177.541
where: short stacking energy: -69.267
Base-Backbone interact. energy: -0.003
local terms energy: -83.414237
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -241.652551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.652551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.652551 (E_RNA)
where:
Base-Base interactions energy: -170.874
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.682
local terms energy: -70.095944
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -235.627491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.627491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.627491 (E_RNA)
where:
Base-Base interactions energy: -161.905
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.299
local terms energy: -73.423927
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -199.206598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.206598 (E_RNA)
where:
Base-Base interactions energy: -134.256
where: short stacking energy: -49.036
Base-Backbone interact. energy: 0.225
local terms energy: -65.175759
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -171.348832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.348832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.348832 (E_RNA)
where:
Base-Base interactions energy: -108.472
where: short stacking energy: -48.346
Base-Backbone interact. energy: -0.145
local terms energy: -62.731945
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -172.669578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.669578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.669578 (E_RNA)
where:
Base-Base interactions energy: -110.333
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.250
local terms energy: -62.086140
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -166.249711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.249711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.249711 (E_RNA)
where:
Base-Base interactions energy: -112.914
where: short stacking energy: -60.911
Base-Backbone interact. energy: 2.498
local terms energy: -55.833815
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -95.207033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.207033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.207033 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -38.991
Base-Backbone interact. energy: -0.204
local terms energy: -56.011213
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -268.263847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.263847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.263847 (E_RNA)
where:
Base-Base interactions energy: -189.795
where: short stacking energy: -79.472
Base-Backbone interact. energy: -0.785
local terms energy: -77.684278
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -263.787597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.787597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.787597 (E_RNA)
where:
Base-Base interactions energy: -179.366
where: short stacking energy: -76.104
Base-Backbone interact. energy: 0.395
local terms energy: -84.816625
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -233.639150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.639150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.639150 (E_RNA)
where:
Base-Base interactions energy: -167.627
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.311
local terms energy: -65.700902
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -8.429
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: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -234.155296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.155296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.155296 (E_RNA)
where:
Base-Base interactions energy: -158.652
where: short stacking energy: -68.708
Base-Backbone interact. energy: -0.667
local terms energy: -74.836958
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -217.896796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.896796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.896796 (E_RNA)
where:
Base-Base interactions energy: -151.638
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.314
local terms energy: -65.944423
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -12.988
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: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -210.924588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.924588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.924588 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.360
local terms energy: -67.040018
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -17.131
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: 211
Temperature: 1.200000
Total energy: -158.700475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.700475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.700475 (E_RNA)
where:
Base-Base interactions energy: -92.230
where: short stacking energy: -46.142
Base-Backbone interact. energy: -0.166
local terms energy: -66.304528
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -166.063394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.063394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.063394 (E_RNA)
where:
Base-Base interactions energy: -101.938
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.104
local terms energy: -64.021317
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -12.418
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: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -152.966334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.966334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.966334 (E_RNA)
where:
Base-Base interactions energy: -96.287
where: short stacking energy: -39.406
Base-Backbone interact. energy: 2.293
local terms energy: -58.972537
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -91.596672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596672 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.524
local terms energy: -54.199483
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -282.573904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.573904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.573904 (E_RNA)
where:
Base-Base interactions energy: -206.677
where: short stacking energy: -77.931
Base-Backbone interact. energy: -0.404
local terms energy: -75.492858
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -22.561
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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -266.712748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.712748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.712748 (E_RNA)
where:
Base-Base interactions energy: -189.869
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.760
local terms energy: -76.083738
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -245.157565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.157565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.157565 (E_RNA)
where:
Base-Base interactions energy: -178.494
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.078
local terms energy: -66.585689
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -12.677
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: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -236.654348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.654348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.654348 (E_RNA)
where:
Base-Base interactions energy: -164.697
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.423
local terms energy: -71.534707
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -226.191960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.191960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.191960 (E_RNA)
where:
Base-Base interactions energy: -152.433
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.943
local terms energy: -72.816244
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -215.051258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051258 (E_RNA)
where:
Base-Base interactions energy: -138.970
where: short stacking energy: -56.703
Base-Backbone interact. energy: -1.061
local terms energy: -75.020829
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -13.810
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: 212
Temperature: 1.200000
Total energy: -167.838551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.838551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.838551 (E_RNA)
where:
Base-Base interactions energy: -108.375
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.249
local terms energy: -59.214983
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -162.803838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.803838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.803838 (E_RNA)
where:
Base-Base interactions energy: -101.003
where: short stacking energy: -51.540
Base-Backbone interact. energy: -1.058
local terms energy: -60.743603
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -145.135589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.135589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.135589 (E_RNA)
where:
Base-Base interactions energy: -100.451
where: short stacking energy: -51.596
Base-Backbone interact. energy: 1.649
local terms energy: -46.333146
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -106.361062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.361062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.361062 (E_RNA)
where:
Base-Base interactions energy: -55.321
where: short stacking energy: -33.974
Base-Backbone interact. energy: -0.136
local terms energy: -50.904014
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -282.911387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.911387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.911387 (E_RNA)
where:
Base-Base interactions energy: -203.000
where: short stacking energy: -82.435
Base-Backbone interact. energy: -0.438
local terms energy: -79.473849
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -22.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -244.768788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.768788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.768788 (E_RNA)
where:
Base-Base interactions energy: -173.835
where: short stacking energy: -75.467
Base-Backbone interact. energy: -0.327
local terms energy: -70.606996
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -18.963
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: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -261.632401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.632401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.632401 (E_RNA)
where:
Base-Base interactions energy: -179.735
where: short stacking energy: -75.990
Base-Backbone interact. energy: -1.985
local terms energy: -79.912449
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -233.192014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.192014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.192014 (E_RNA)
where:
Base-Base interactions energy: -165.486
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.849
local terms energy: -66.857212
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -212.722664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.722664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.722664 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.402
local terms energy: -64.402205
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.461
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: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -215.638486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.638486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638486 (E_RNA)
where:
Base-Base interactions energy: -149.053
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.252
local terms energy: -66.333219
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -153.225405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.225405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.225405 (E_RNA)
where:
Base-Base interactions energy: -94.646
where: short stacking energy: -45.846
Base-Backbone interact. energy: -0.104
local terms energy: -58.475266
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -156.797359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.797359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.797359 (E_RNA)
where:
Base-Base interactions energy: -102.286
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.158
local terms energy: -54.352438
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -152.462949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.462949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.462949 (E_RNA)
where:
Base-Base interactions energy: -91.384
where: short stacking energy: -43.620
Base-Backbone interact. energy: -0.475
local terms energy: -60.603640
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -9.824
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: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -84.324456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.324456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.324456 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -31.479
Base-Backbone interact. energy: -0.041
local terms energy: -52.804017
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -3.325
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: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -266.012490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.012490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.012490 (E_RNA)
where:
Base-Base interactions energy: -186.401
where: short stacking energy: -70.657
Base-Backbone interact. energy: -1.030
local terms energy: -78.581232
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -253.252941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.252941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.252941 (E_RNA)
where:
Base-Base interactions energy: -181.629
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.590
local terms energy: -71.033518
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -259.089793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.089793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.089793 (E_RNA)
where:
Base-Base interactions energy: -184.610
where: short stacking energy: -80.116
Base-Backbone interact. energy: -1.600
local terms energy: -72.879733
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -19.443
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: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -226.348209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.348209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.348209 (E_RNA)
where:
Base-Base interactions energy: -158.541
where: short stacking energy: -53.101
Base-Backbone interact. energy: -0.340
local terms energy: -67.467715
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -212.769787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.769787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.769787 (E_RNA)
where:
Base-Base interactions energy: -152.447
where: short stacking energy: -48.592
Base-Backbone interact. energy: -0.769
local terms energy: -59.553826
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -212.067732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.067732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.067732 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.342
local terms energy: -67.624974
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -13.007
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: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -161.737599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.737599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.737599 (E_RNA)
where:
Base-Base interactions energy: -101.500
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.101
local terms energy: -60.136155
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -3.605
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -162.321036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.321036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.321036 (E_RNA)
where:
Base-Base interactions energy: -106.739
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.188
local terms energy: -55.394057
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -154.231576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.231576 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -52.405
Base-Backbone interact. energy: -0.161
local terms energy: -56.785871
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -83.387420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.387420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.387420 (E_RNA)
where:
Base-Base interactions energy: -30.720
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.341
local terms energy: -52.326500
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -269.895246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.895246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.895246 (E_RNA)
where:
Base-Base interactions energy: -185.908
where: short stacking energy: -76.999
Base-Backbone interact. energy: 1.056
local terms energy: -85.042890
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -245.124461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.124461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.124461 (E_RNA)
where:
Base-Base interactions energy: -173.792
where: short stacking energy: -76.430
Base-Backbone interact. energy: -0.246
local terms energy: -71.086706
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -15.904
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: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -254.547250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.547250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.547250 (E_RNA)
where:
Base-Base interactions energy: -184.667
where: short stacking energy: -78.537
Base-Backbone interact. energy: -1.045
local terms energy: -68.835159
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -21.562
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: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -223.110505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.110505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.110505 (E_RNA)
where:
Base-Base interactions energy: -156.048
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.810
local terms energy: -66.252618
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -225.803835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803835 (E_RNA)
where:
Base-Base interactions energy: -158.819
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.347
local terms energy: -66.637964
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -226.431070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.431070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.431070 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -58.307
Base-Backbone interact. energy: -0.238
local terms energy: -74.179656
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -17.109
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: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -155.526666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.526666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.526666 (E_RNA)
where:
Base-Base interactions energy: -99.364
where: short stacking energy: -46.137
Base-Backbone interact. energy: 2.479
local terms energy: -58.641866
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -1.680
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -165.614740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.614740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.614740 (E_RNA)
where:
Base-Base interactions energy: -100.382
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.017
local terms energy: -65.215271
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -10.319
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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -144.787393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.787393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.787393 (E_RNA)
where:
Base-Base interactions energy: -92.852
where: short stacking energy: -44.536
Base-Backbone interact. energy: -0.007
local terms energy: -51.928636
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -92.629707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.629707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.629707 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -33.999
Base-Backbone interact. energy: 0.283
local terms energy: -56.326583
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -247.940613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.940613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.940613 (E_RNA)
where:
Base-Base interactions energy: -169.270
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.246
local terms energy: -78.423921
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -270.899419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.899419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.899419 (E_RNA)
where:
Base-Base interactions energy: -183.663
where: short stacking energy: -77.981
Base-Backbone interact. energy: -1.232
local terms energy: -86.004847
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -263.922965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.922965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.922965 (E_RNA)
where:
Base-Base interactions energy: -182.606
where: short stacking energy: -78.919
Base-Backbone interact. energy: -1.278
local terms energy: -80.038765
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -234.190184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.190184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190184 (E_RNA)
where:
Base-Base interactions energy: -159.955
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.882
local terms energy: -73.353207
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -234.629857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.629857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.629857 (E_RNA)
where:
Base-Base interactions energy: -161.098
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.230
local terms energy: -73.302452
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -206.052106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.052106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.052106 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -53.946
Base-Backbone interact. energy: -0.791
local terms energy: -63.153430
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -10.144
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: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -174.150398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.150398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.150398 (E_RNA)
where:
Base-Base interactions energy: -102.589
where: short stacking energy: -52.465
Base-Backbone interact. energy: -0.011
local terms energy: -71.550074
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -11.510
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: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -153.067325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.067325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.067325 (E_RNA)
where:
Base-Base interactions energy: -99.194
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.152
local terms energy: -53.721496
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -86.045598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.045598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.045598 (E_RNA)
where:
Base-Base interactions energy: -44.319
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.613
local terms energy: -41.113894
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -4.071
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -161.324599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.324599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.324599 (E_RNA)
where:
Base-Base interactions energy: -94.627
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.160
local terms energy: -66.537373
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -10.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -248.674353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.674353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.674353 (E_RNA)
where:
Base-Base interactions energy: -171.187
where: short stacking energy: -64.619
Base-Backbone interact. energy: -0.867
local terms energy: -76.620609
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -271.334585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.334585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.334585 (E_RNA)
where:
Base-Base interactions energy: -188.644
where: short stacking energy: -73.391
Base-Backbone interact. energy: -0.011
local terms energy: -82.679599
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -263.720304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.720304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.720304 (E_RNA)
where:
Base-Base interactions energy: -187.192
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.020
local terms energy: -76.508506
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -238.619507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.619507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.619507 (E_RNA)
where:
Base-Base interactions energy: -166.875
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.180
local terms energy: -71.564759
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -210.563163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.563163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.563163 (E_RNA)
where:
Base-Base interactions energy: -142.012
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.035
local terms energy: -68.515661
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -218.983612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.983612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.983612 (E_RNA)
where:
Base-Base interactions energy: -151.864
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.723
local terms energy: -66.397399
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -15.227
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -152.009294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.009294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.009294 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.026
local terms energy: -61.371975
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -169.837672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.837672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.837672 (E_RNA)
where:
Base-Base interactions energy: -109.635
where: short stacking energy: -47.652
Base-Backbone interact. energy: -0.048
local terms energy: -60.155183
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -90.768216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.768216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.768216 (E_RNA)
where:
Base-Base interactions energy: -32.115
where: short stacking energy: -32.115
Base-Backbone interact. energy: 0.241
local terms energy: -58.894166
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -155.050938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.050938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.050938 (E_RNA)
where:
Base-Base interactions energy: -95.986
where: short stacking energy: -48.828
Base-Backbone interact. energy: -1.444
local terms energy: -57.620964
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -270.645642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.645642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.645642 (E_RNA)
where:
Base-Base interactions energy: -185.786
where: short stacking energy: -75.554
Base-Backbone interact. energy: -0.043
local terms energy: -84.816820
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -21.308
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -248.533004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.533004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.533004 (E_RNA)
where:
Base-Base interactions energy: -168.907
where: short stacking energy: -72.167
Base-Backbone interact. energy: -1.373
local terms energy: -78.252946
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -231.800283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.800283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.800283 (E_RNA)
where:
Base-Base interactions energy: -168.853
where: short stacking energy: -63.848
Base-Backbone interact. energy: 1.266
local terms energy: -64.212784
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -263.808253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.808253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.808253 (E_RNA)
where:
Base-Base interactions energy: -187.408
where: short stacking energy: -76.410
Base-Backbone interact. energy: -0.432
local terms energy: -75.967422
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -227.879029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.879029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.879029 (E_RNA)
where:
Base-Base interactions energy: -157.775
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.120
local terms energy: -69.984417
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -215.466602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.466602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.466602 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.608
local terms energy: -69.562086
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -163.823949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.823949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.823949 (E_RNA)
where:
Base-Base interactions energy: -101.070
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.073
local terms energy: -62.680982
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -155.601309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.601309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.601309 (E_RNA)
where:
Base-Base interactions energy: -96.157
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.620
local terms energy: -58.823422
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -7.660
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: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -159.889215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.889215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.889215 (E_RNA)
where:
Base-Base interactions energy: -93.682
where: short stacking energy: -44.451
Base-Backbone interact. energy: 1.141
local terms energy: -67.349020
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -87.624339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.624339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.624339 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -34.693
Base-Backbone interact. energy: -0.171
local terms energy: -52.760905
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -273.062924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.062924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.062924 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -74.843
Base-Backbone interact. energy: -0.002
local terms energy: -79.984834
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -23.062
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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -237.393134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.393134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.393134 (E_RNA)
where:
Base-Base interactions energy: -153.561
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.089
local terms energy: -83.743634
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -245.142077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.142077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.142077 (E_RNA)
where:
Base-Base interactions energy: -167.988
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.862
local terms energy: -76.291742
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -240.395791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.395791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.395791 (E_RNA)
where:
Base-Base interactions energy: -164.053
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.195
local terms energy: -76.147522
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -18.498
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -256.461658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.461658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.461658 (E_RNA)
where:
Base-Base interactions energy: -173.410
where: short stacking energy: -69.163
Base-Backbone interact. energy: -1.981
local terms energy: -81.070208
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -22.409
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -207.406824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.406824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.406824 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.070
local terms energy: -65.465261
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -9.803
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: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -163.797062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.797062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.797062 (E_RNA)
where:
Base-Base interactions energy: -87.618
where: short stacking energy: -43.778
Base-Backbone interact. energy: -0.067
local terms energy: -76.111561
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -156.004426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.004426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.004426 (E_RNA)
where:
Base-Base interactions energy: -98.319
where: short stacking energy: -49.937
Base-Backbone interact. energy: -0.229
local terms energy: -57.456521
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -146.244829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.244829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.244829 (E_RNA)
where:
Base-Base interactions energy: -85.930
where: short stacking energy: -42.070
Base-Backbone interact. energy: -0.560
local terms energy: -59.754864
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -88.731142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.731142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.731142 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -23.512
Base-Backbone interact. energy: -0.484
local terms energy: -47.614290
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -246.386281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.386281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.386281 (E_RNA)
where:
Base-Base interactions energy: -168.386
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.102
local terms energy: -77.898745
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -21.377
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: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -264.913910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.913910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.913910 (E_RNA)
where:
Base-Base interactions energy: -185.206
where: short stacking energy: -82.085
Base-Backbone interact. energy: -0.867
local terms energy: -78.840908
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -240.516399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.516399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.516399 (E_RNA)
where:
Base-Base interactions energy: -171.418
where: short stacking energy: -74.415
Base-Backbone interact. energy: -0.607
local terms energy: -68.491421
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -224.464516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.464516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.464516 (E_RNA)
where:
Base-Base interactions energy: -153.024
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.344
local terms energy: -71.096094
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -217.473302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.473302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.473302 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -52.923
Base-Backbone interact. energy: -0.419
local terms energy: -69.026296
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.143
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: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -242.276990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.276990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.276990 (E_RNA)
where:
Base-Base interactions energy: -164.157
where: short stacking energy: -65.269
Base-Backbone interact. energy: -0.097
local terms energy: -78.022675
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -17.248
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: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -167.467809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.467809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.467809 (E_RNA)
where:
Base-Base interactions energy: -108.189
where: short stacking energy: -56.745
Base-Backbone interact. energy: -0.104
local terms energy: -59.174397
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -11.955
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: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -167.497865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.497865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.497865 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -52.932
Base-Backbone interact. energy: -0.129
local terms energy: -54.571612
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -150.393048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.393048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.393048 (E_RNA)
where:
Base-Base interactions energy: -92.782
where: short stacking energy: -39.200
Base-Backbone interact. energy: 0.064
local terms energy: -57.674568
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -119.509766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.509766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.509766 (E_RNA)
where:
Base-Base interactions energy: -63.392
where: short stacking energy: -33.372
Base-Backbone interact. energy: 0.339
local terms energy: -56.457038
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -0.834
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: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -248.331408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.331408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.331408 (E_RNA)
where:
Base-Base interactions energy: -178.654
where: short stacking energy: -72.371
Base-Backbone interact. energy: -1.746
local terms energy: -67.931718
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -2.390
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -241.327865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.327865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.327865 (E_RNA)
where:
Base-Base interactions energy: -170.977
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.257
local terms energy: -70.093947
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -257.298133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.298133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.298133 (E_RNA)
where:
Base-Base interactions energy: -178.308
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.751
local terms energy: -78.238566
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -224.996793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.996793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.996793 (E_RNA)
where:
Base-Base interactions energy: -158.792
where: short stacking energy: -65.348
Base-Backbone interact. energy: -0.147
local terms energy: -66.057948
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -225.104862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.104862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.104862 (E_RNA)
where:
Base-Base interactions energy: -157.053
where: short stacking energy: -57.553
Base-Backbone interact. energy: 0.975
local terms energy: -69.027498
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -15.207
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -246.301837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.301837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.301837 (E_RNA)
where:
Base-Base interactions energy: -169.861
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.171
local terms energy: -76.269697
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.226
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: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -167.647888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.647888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.647888 (E_RNA)
where:
Base-Base interactions energy: -95.418
where: short stacking energy: -57.361
Base-Backbone interact. energy: -0.048
local terms energy: -72.181883
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -153.907182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.907182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.907182 (E_RNA)
where:
Base-Base interactions energy: -97.860
where: short stacking energy: -51.430
Base-Backbone interact. energy: -0.047
local terms energy: -55.999298
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -149.350761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.350761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.350761 (E_RNA)
where:
Base-Base interactions energy: -90.932
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.472
local terms energy: -57.946142
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -124.459540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.459540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.459540 (E_RNA)
where:
Base-Base interactions energy: -81.666
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.331
local terms energy: -42.462233
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -242.521443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.521443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.521443 (E_RNA)
where:
Base-Base interactions energy: -162.574
where: short stacking energy: -64.739
Base-Backbone interact. energy: -2.037
local terms energy: -77.910264
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -16.294
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: 222
Temperature: 0.950000
Total energy: -255.282292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.282292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.282292 (E_RNA)
where:
Base-Base interactions energy: -180.158
where: short stacking energy: -74.317
Base-Backbone interact. energy: -0.444
local terms energy: -74.680822
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -16.157
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: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -254.145864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.145864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.145864 (E_RNA)
where:
Base-Base interactions energy: -174.315
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.002
local terms energy: -79.828283
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -21.132
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: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -216.174147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.174147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.174147 (E_RNA)
where:
Base-Base interactions energy: -150.607
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.040
local terms energy: -65.527098
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -249.349184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.349184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.349184 (E_RNA)
where:
Base-Base interactions energy: -171.168
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.513
local terms energy: -77.668099
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -217.367278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.367278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.367278 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.049
local terms energy: -65.261972
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -158.988606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.988606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.988606 (E_RNA)
where:
Base-Base interactions energy: -104.092
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.094
local terms energy: -54.802622
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -156.084919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.084919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.084919 (E_RNA)
where:
Base-Base interactions energy: -95.980
where: short stacking energy: -43.511
Base-Backbone interact. energy: -0.061
local terms energy: -60.043642
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -12.366
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: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -94.552437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.552437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.552437 (E_RNA)
where:
Base-Base interactions energy: -48.172
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.288
local terms energy: -46.093223
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -154.872866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.872866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.872866 (E_RNA)
where:
Base-Base interactions energy: -99.605
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.118
local terms energy: -55.149773
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -5.682
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: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -244.717688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.717688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.717688 (E_RNA)
where:
Base-Base interactions energy: -166.314
where: short stacking energy: -71.939
Base-Backbone interact. energy: 0.601
local terms energy: -79.005058
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -17.490
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: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -267.473356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.473356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.473356 (E_RNA)
where:
Base-Base interactions energy: -183.680
where: short stacking energy: -74.004
Base-Backbone interact. energy: -0.411
local terms energy: -83.382768
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -248.414661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.414661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.414661 (E_RNA)
where:
Base-Base interactions energy: -171.620
where: short stacking energy: -66.660
Base-Backbone interact. energy: -0.210
local terms energy: -76.585222
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -257.820595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.820595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.820595 (E_RNA)
where:
Base-Base interactions energy: -184.837
where: short stacking energy: -76.751
Base-Backbone interact. energy: 0.933
local terms energy: -73.916341
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -202.408027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.408027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.408027 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -55.567
Base-Backbone interact. energy: -0.217
local terms energy: -56.340507
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -222.045851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.045851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.045851 (E_RNA)
where:
Base-Base interactions energy: -148.020
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.157
local terms energy: -73.868127
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -153.315630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.315630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.315630 (E_RNA)
where:
Base-Base interactions energy: -96.037
where: short stacking energy: -51.267
Base-Backbone interact. energy: -0.616
local terms energy: -56.662742
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -163.806297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.806297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.806297 (E_RNA)
where:
Base-Base interactions energy: -107.340
where: short stacking energy: -47.667
Base-Backbone interact. energy: -1.047
local terms energy: -55.419350
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -89.726258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.726258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.726258 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.414
local terms energy: -55.672801
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -3.731
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -143.630226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.630226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.630226 (E_RNA)
where:
Base-Base interactions energy: -78.462
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.313
local terms energy: -64.855770
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -268.161114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.161114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.161114 (E_RNA)
where:
Base-Base interactions energy: -182.996
where: short stacking energy: -79.136
Base-Backbone interact. energy: -1.352
local terms energy: -83.812676
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -243.201231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.201231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.201231 (E_RNA)
where:
Base-Base interactions energy: -170.489
where: short stacking energy: -72.903
Base-Backbone interact. energy: 1.410
local terms energy: -74.122384
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -268.491130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.491130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.491130 (E_RNA)
where:
Base-Base interactions energy: -182.415
where: short stacking energy: -78.670
Base-Backbone interact. energy: -1.678
local terms energy: -84.398117
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -23.641
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: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -238.043563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.043563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.043563 (E_RNA)
where:
Base-Base interactions energy: -162.006
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.097
local terms energy: -75.940358
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -227.118999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.118999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.118999 (E_RNA)
where:
Base-Base interactions energy: -156.607
where: short stacking energy: -63.079
Base-Backbone interact. energy: 0.327
local terms energy: -70.839105
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -197.102242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.102242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.102242 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -62.813
Base-Backbone interact. energy: -0.404
local terms energy: -55.381663
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -14.086
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: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -177.252192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.252192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.252192 (E_RNA)
where:
Base-Base interactions energy: -113.868
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.095
local terms energy: -63.289728
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -161.772671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.772671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.772671 (E_RNA)
where:
Base-Base interactions energy: -100.054
where: short stacking energy: -48.895
Base-Backbone interact. energy: -0.037
local terms energy: -61.681925
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -13.245
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: 224
Temperature: 1.300000
Total energy: -153.716233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.716233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.716233 (E_RNA)
where:
Base-Base interactions energy: -94.403
where: short stacking energy: -39.852
Base-Backbone interact. energy: -0.309
local terms energy: -59.003448
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -82.818642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.818642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.818642 (E_RNA)
where:
Base-Base interactions energy: -30.062
where: short stacking energy: -27.808
Base-Backbone interact. energy: 0.149
local terms energy: -52.906057
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: 0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -268.412528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.412528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.412528 (E_RNA)
where:
Base-Base interactions energy: -186.063
where: short stacking energy: -75.174
Base-Backbone interact. energy: -0.575
local terms energy: -81.773712
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -22.712
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: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -271.397459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.397459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.397459 (E_RNA)
where:
Base-Base interactions energy: -192.530
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.005
local terms energy: -78.862886
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -20.852
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: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -226.815557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.815557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.815557 (E_RNA)
where:
Base-Base interactions energy: -156.083
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.307
local terms energy: -70.425484
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -15.881
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: 225
Temperature: 1.050000
Total energy: -231.966885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.966885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.966885 (E_RNA)
where:
Base-Base interactions energy: -161.988
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.119
local terms energy: -69.859915
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -233.463794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.463794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.463794 (E_RNA)
where:
Base-Base interactions energy: -172.170
where: short stacking energy: -65.536
Base-Backbone interact. energy: -0.345
local terms energy: -60.948918
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -214.129294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.129294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.129294 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -58.542
Base-Backbone interact. energy: -0.168
local terms energy: -69.069395
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -165.707175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.707175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.707175 (E_RNA)
where:
Base-Base interactions energy: -98.888
where: short stacking energy: -55.064
Base-Backbone interact. energy: -1.281
local terms energy: -65.538598
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -158.351415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.351415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.351415 (E_RNA)
where:
Base-Base interactions energy: -96.716
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.311
local terms energy: -61.324620
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -153.144321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.144321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.144321 (E_RNA)
where:
Base-Base interactions energy: -86.749
where: short stacking energy: -47.933
Base-Backbone interact. energy: -0.106
local terms energy: -66.290071
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -82.470339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.470339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.470339 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -32.983
Base-Backbone interact. energy: -0.125
local terms energy: -47.438026
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: 1.305
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -267.368416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.368416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.368416 (E_RNA)
where:
Base-Base interactions energy: -187.152
where: short stacking energy: -82.470
Base-Backbone interact. energy: -1.651
local terms energy: -78.566033
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -271.764942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.764942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.764942 (E_RNA)
where:
Base-Base interactions energy: -191.754
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.042
local terms energy: -79.969792
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -22.691
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: 226
Temperature: 1.000000
Total energy: -232.967337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.967337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.967337 (E_RNA)
where:
Base-Base interactions energy: -170.431
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.732
local terms energy: -61.804328
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -1.011
tors. eta vs tors. theta energy: -16.444
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: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -227.596913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.596913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.596913 (E_RNA)
where:
Base-Base interactions energy: -162.296
where: short stacking energy: -67.974
Base-Backbone interact. energy: -0.163
local terms energy: -65.137709
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -215.921043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.921043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.921043 (E_RNA)
where:
Base-Base interactions energy: -147.800
where: short stacking energy: -56.830
Base-Backbone interact. energy: -1.699
local terms energy: -66.422244
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -12.260
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: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -233.356584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.356584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.356584 (E_RNA)
where:
Base-Base interactions energy: -164.983
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.520
local terms energy: -67.853309
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -155.098048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.098048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.098048 (E_RNA)
where:
Base-Base interactions energy: -88.689
where: short stacking energy: -45.314
Base-Backbone interact. energy: -0.150
local terms energy: -66.258418
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -162.899637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.899637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.899637 (E_RNA)
where:
Base-Base interactions energy: -97.019
where: short stacking energy: -47.056
Base-Backbone interact. energy: -0.143
local terms energy: -65.737835
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -155.096245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.096245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.096245 (E_RNA)
where:
Base-Base interactions energy: -94.306
where: short stacking energy: -48.809
Base-Backbone interact. energy: -0.100
local terms energy: -60.690233
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -99.396951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.396951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.396951 (E_RNA)
where:
Base-Base interactions energy: -48.824
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.144
local terms energy: -50.429524
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -275.391567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.391567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.391567 (E_RNA)
where:
Base-Base interactions energy: -197.271
where: short stacking energy: -75.341
Base-Backbone interact. energy: -0.310
local terms energy: -77.810571
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -262.141545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.141545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.141545 (E_RNA)
where:
Base-Base interactions energy: -190.460
where: short stacking energy: -72.399
Base-Backbone interact. energy: -0.001
local terms energy: -71.680479
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -226.213649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.213649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.213649 (E_RNA)
where:
Base-Base interactions energy: -154.387
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.112
local terms energy: -71.714537
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -16.245
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: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -224.750716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.750716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.750716 (E_RNA)
where:
Base-Base interactions energy: -157.142
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.139
local terms energy: -67.470245
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -220.782465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.782465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.782465 (E_RNA)
where:
Base-Base interactions energy: -145.393
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.218
local terms energy: -75.171677
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -238.112581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.112581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.112581 (E_RNA)
where:
Base-Base interactions energy: -168.086
where: short stacking energy: -71.385
Base-Backbone interact. energy: 0.655
local terms energy: -70.682249
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -159.546542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.546542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.546542 (E_RNA)
where:
Base-Base interactions energy: -102.015
where: short stacking energy: -46.241
Base-Backbone interact. energy: 0.994
local terms energy: -58.526177
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -8.110
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: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -157.326008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.326008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.326008 (E_RNA)
where:
Base-Base interactions energy: -97.699
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.028
local terms energy: -59.598849
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -139.084511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.084511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.084511 (E_RNA)
where:
Base-Base interactions energy: -85.977
where: short stacking energy: -43.996
Base-Backbone interact. energy: -0.078
local terms energy: -53.029794
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -100.417613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.417613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.417613 (E_RNA)
where:
Base-Base interactions energy: -52.703
where: short stacking energy: -20.752
Base-Backbone interact. energy: -0.199
local terms energy: -47.515609
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -276.389431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.389431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.389431 (E_RNA)
where:
Base-Base interactions energy: -199.847
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.533
local terms energy: -76.010031
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -6.946
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -269.077189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.077189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.077189 (E_RNA)
where:
Base-Base interactions energy: -182.530
where: short stacking energy: -76.054
Base-Backbone interact. energy: 1.372
local terms energy: -87.919013
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -229.747426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.747426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.747426 (E_RNA)
where:
Base-Base interactions energy: -158.738
where: short stacking energy: -68.297
Base-Backbone interact. energy: 0.121
local terms energy: -71.129556
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -217.421919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.421919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.421919 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -56.970
Base-Backbone interact. energy: -1.940
local terms energy: -66.070556
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -13.023
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: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -229.500163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.500163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.500163 (E_RNA)
where:
Base-Base interactions energy: -162.367
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.511
local terms energy: -66.621614
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -224.986837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.986837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986837 (E_RNA)
where:
Base-Base interactions energy: -156.810
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.988
local terms energy: -67.188940
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -179.797452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.797452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.797452 (E_RNA)
where:
Base-Base interactions energy: -110.291
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.270
local terms energy: -69.236458
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -14.004
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: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -159.392023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.392023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.392023 (E_RNA)
where:
Base-Base interactions energy: -102.267
where: short stacking energy: -54.742
Base-Backbone interact. energy: -0.858
local terms energy: -56.267426
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -98.299103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.299103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.299103 (E_RNA)
where:
Base-Base interactions energy: -38.358
where: short stacking energy: -38.358
Base-Backbone interact. energy: -0.150
local terms energy: -59.790541
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -144.816985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.816985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.816985 (E_RNA)
where:
Base-Base interactions energy: -91.688
where: short stacking energy: -43.565
Base-Backbone interact. energy: 0.622
local terms energy: -53.751278
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -266.856710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.856710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.856710 (E_RNA)
where:
Base-Base interactions energy: -188.441
where: short stacking energy: -74.923
Base-Backbone interact. energy: -0.039
local terms energy: -78.375908
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -265.050488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.050488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.050488 (E_RNA)
where:
Base-Base interactions energy: -189.430
where: short stacking energy: -65.993
Base-Backbone interact. energy: -0.051
local terms energy: -75.569199
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -239.067321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.067321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.067321 (E_RNA)
where:
Base-Base interactions energy: -165.236
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.277
local terms energy: -73.554735
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -245.692280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.692280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.692280 (E_RNA)
where:
Base-Base interactions energy: -170.573
where: short stacking energy: -72.865
Base-Backbone interact. energy: 0.265
local terms energy: -75.383390
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -221.248639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.248639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.248639 (E_RNA)
where:
Base-Base interactions energy: -153.750
where: short stacking energy: -66.357
Base-Backbone interact. energy: 0.053
local terms energy: -67.551205
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -217.023394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.023394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.023394 (E_RNA)
where:
Base-Base interactions energy: -151.582
where: short stacking energy: -61.271
Base-Backbone interact. energy: -0.422
local terms energy: -65.019783
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -173.251489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.251489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.251489 (E_RNA)
where:
Base-Base interactions energy: -106.440
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.466
local terms energy: -66.345086
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -16.780
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: 229
Temperature: 1.250000
Total energy: -150.171782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.171782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.171782 (E_RNA)
where:
Base-Base interactions energy: -97.780
where: short stacking energy: -45.692
Base-Backbone interact. energy: -0.140
local terms energy: -52.251721
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -10.904
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: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -100.735693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.735693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.735693 (E_RNA)
where:
Base-Base interactions energy: -50.429
where: short stacking energy: -22.024
Base-Backbone interact. energy: -0.397
local terms energy: -49.908898
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -150.827951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.827951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.827951 (E_RNA)
where:
Base-Base interactions energy: -91.239
where: short stacking energy: -46.230
Base-Backbone interact. energy: -0.244
local terms energy: -59.345504
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -273.565776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.565776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.565776 (E_RNA)
where:
Base-Base interactions energy: -203.165
where: short stacking energy: -74.803
Base-Backbone interact. energy: -0.369
local terms energy: -70.030890
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -267.074106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.074106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.074106 (E_RNA)
where:
Base-Base interactions energy: -188.573
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.001
local terms energy: -78.499533
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -238.561908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.561908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.561908 (E_RNA)
where:
Base-Base interactions energy: -169.243
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.375
local terms energy: -68.944105
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -11.955
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: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -222.311907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311907 (E_RNA)
where:
Base-Base interactions energy: -150.808
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.344
local terms energy: -71.160136
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -226.266839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.266839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.266839 (E_RNA)
where:
Base-Base interactions energy: -154.416
where: short stacking energy: -61.196
Base-Backbone interact. energy: -0.259
local terms energy: -71.591544
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -206.374661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.374661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.374661 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -53.869
Base-Backbone interact. energy: 1.038
local terms energy: -63.078807
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -10.545
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: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -163.400711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.400711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.400711 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.046
local terms energy: -63.127303
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -157.013500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.013500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.013500 (E_RNA)
where:
Base-Base interactions energy: -94.584
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.042
local terms energy: -62.386830
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -138.782170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.782170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.782170 (E_RNA)
where:
Base-Base interactions energy: -81.346
where: short stacking energy: -37.522
Base-Backbone interact. energy: 0.003
local terms energy: -57.439647
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -85.604802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.604802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.604802 (E_RNA)
where:
Base-Base interactions energy: -48.319
where: short stacking energy: -24.960
Base-Backbone interact. energy: -0.063
local terms energy: -37.222049
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -1.877
tors. eta vs tors. theta energy: 1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -270.150974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.150974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.150974 (E_RNA)
where:
Base-Base interactions energy: -192.960
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.029
local terms energy: -77.162192
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -23.924
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: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -266.043172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.043172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.043172 (E_RNA)
where:
Base-Base interactions energy: -185.198
where: short stacking energy: -78.604
Base-Backbone interact. energy: -2.032
local terms energy: -78.813749
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -22.082
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -230.815512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.815512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.815512 (E_RNA)
where:
Base-Base interactions energy: -168.920
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.392
local terms energy: -61.503849
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -12.204
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: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -216.867234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.867234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.867234 (E_RNA)
where:
Base-Base interactions energy: -152.030
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.449
local terms energy: -64.388249
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -207.248557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248557 (E_RNA)
where:
Base-Base interactions energy: -137.184
where: short stacking energy: -51.832
Base-Backbone interact. energy: -0.162
local terms energy: -69.902530
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -204.283247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.283247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.283247 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -61.732
Base-Backbone interact. energy: 0.114
local terms energy: -52.190401
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -9.409
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -167.770904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.770904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.770904 (E_RNA)
where:
Base-Base interactions energy: -105.557
where: short stacking energy: -42.994
Base-Backbone interact. energy: -0.135
local terms energy: -62.078369
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -149.935294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.935294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.935294 (E_RNA)
where:
Base-Base interactions energy: -86.824
where: short stacking energy: -38.302
Base-Backbone interact. energy: -0.672
local terms energy: -62.439012
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -145.285470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.285470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.285470 (E_RNA)
where:
Base-Base interactions energy: -93.806
where: short stacking energy: -46.721
Base-Backbone interact. energy: -0.298
local terms energy: -51.181017
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -8.479
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: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -99.858711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858711 (E_RNA)
where:
Base-Base interactions energy: -48.120
where: short stacking energy: -22.184
Base-Backbone interact. energy: -0.232
local terms energy: -51.506540
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.571
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: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -264.817781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.817781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.817781 (E_RNA)
where:
Base-Base interactions energy: -180.820
where: short stacking energy: -72.935
Base-Backbone interact. energy: -0.007
local terms energy: -83.989988
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -263.287162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.287162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.287162 (E_RNA)
where:
Base-Base interactions energy: -181.642
where: short stacking energy: -75.772
Base-Backbone interact. energy: -1.591
local terms energy: -80.054013
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -234.336383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.336383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.336383 (E_RNA)
where:
Base-Base interactions energy: -161.257
where: short stacking energy: -70.359
Base-Backbone interact. energy: -0.025
local terms energy: -73.054266
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -229.082213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.082213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.082213 (E_RNA)
where:
Base-Base interactions energy: -159.548
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.673
local terms energy: -68.861413
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -236.497815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.497815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.497815 (E_RNA)
where:
Base-Base interactions energy: -164.674
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.135
local terms energy: -71.688737
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -209.364502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.364502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.364502 (E_RNA)
where:
Base-Base interactions energy: -137.450
where: short stacking energy: -55.119
Base-Backbone interact. energy: -1.623
local terms energy: -70.291552
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -149.405574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.405574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.405574 (E_RNA)
where:
Base-Base interactions energy: -86.270
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.155
local terms energy: -62.980536
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.136
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -173.083733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.083733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.083733 (E_RNA)
where:
Base-Base interactions energy: -106.796
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.026
local terms energy: -66.262267
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -10.255
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: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -154.961851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.961851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.961851 (E_RNA)
where:
Base-Base interactions energy: -93.683
where: short stacking energy: -46.633
Base-Backbone interact. energy: 0.274
local terms energy: -61.552417
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -97.815799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.815799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.815799 (E_RNA)
where:
Base-Base interactions energy: -55.176
where: short stacking energy: -18.519
Base-Backbone interact. energy: -0.579
local terms energy: -42.061257
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -275.034256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.034256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.034256 (E_RNA)
where:
Base-Base interactions energy: -196.303
where: short stacking energy: -78.785
Base-Backbone interact. energy: -0.135
local terms energy: -78.596254
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -266.034322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.034322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.034322 (E_RNA)
where:
Base-Base interactions energy: -182.516
where: short stacking energy: -68.842
Base-Backbone interact. energy: -1.363
local terms energy: -82.155730
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -236.166506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.166506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.166506 (E_RNA)
where:
Base-Base interactions energy: -160.249
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.001
local terms energy: -75.915898
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -224.717361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.717361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.717361 (E_RNA)
where:
Base-Base interactions energy: -148.982
where: short stacking energy: -59.554
Base-Backbone interact. energy: 0.185
local terms energy: -75.920042
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -223.774264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.774264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.774264 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.271
local terms energy: -73.277438
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -228.018132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.018132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.018132 (E_RNA)
where:
Base-Base interactions energy: -158.722
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.153
local terms energy: -69.143895
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -153.290711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.290711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.290711 (E_RNA)
where:
Base-Base interactions energy: -88.916
where: short stacking energy: -41.593
Base-Backbone interact. energy: -0.044
local terms energy: -64.330901
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -158.813314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.813314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.813314 (E_RNA)
where:
Base-Base interactions energy: -96.475
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.195
local terms energy: -62.143362
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -166.758000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.758000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.758000 (E_RNA)
where:
Base-Base interactions energy: -102.789
where: short stacking energy: -45.363
Base-Backbone interact. energy: 0.233
local terms energy: -64.201640
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -82.922634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.922634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.922634 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.122
local terms energy: -51.498396
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -270.009298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.009298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.009298 (E_RNA)
where:
Base-Base interactions energy: -191.737
where: short stacking energy: -78.453
Base-Backbone interact. energy: -0.189
local terms energy: -78.083772
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.990
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -265.212655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.212655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.212655 (E_RNA)
where:
Base-Base interactions energy: -182.503
where: short stacking energy: -71.685
Base-Backbone interact. energy: -1.234
local terms energy: -81.476178
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -241.855801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.855801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.855801 (E_RNA)
where:
Base-Base interactions energy: -164.055
where: short stacking energy: -72.634
Base-Backbone interact. energy: -0.623
local terms energy: -77.177291
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -207.692903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.692903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.692903 (E_RNA)
where:
Base-Base interactions energy: -136.373
where: short stacking energy: -61.014
Base-Backbone interact. energy: -0.176
local terms energy: -71.144007
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -225.277680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.277680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.277680 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.508
local terms energy: -67.411297
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -226.519512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.519512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.519512 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -65.919
Base-Backbone interact. energy: -0.217
local terms energy: -66.695377
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -171.572288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.572288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.572288 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -60.298
Base-Backbone interact. energy: -1.305
local terms energy: -66.140805
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -152.839746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.839746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.839746 (E_RNA)
where:
Base-Base interactions energy: -93.203
where: short stacking energy: -41.012
Base-Backbone interact. energy: -0.117
local terms energy: -59.520206
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -155.358446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.358446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.358446 (E_RNA)
where:
Base-Base interactions energy: -96.851
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.015
local terms energy: -58.491547
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -5.629
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: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -87.810100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.810100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.810100 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -31.735
Base-Backbone interact. energy: -0.067
local terms energy: -50.098370
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -265.736860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.736860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.736860 (E_RNA)
where:
Base-Base interactions energy: -190.669
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.001
local terms energy: -75.066678
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -21.540
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -266.252601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.252601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.252601 (E_RNA)
where:
Base-Base interactions energy: -183.284
where: short stacking energy: -74.762
Base-Backbone interact. energy: -1.055
local terms energy: -81.914114
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -236.801996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.801996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.801996 (E_RNA)
where:
Base-Base interactions energy: -161.032
where: short stacking energy: -71.300
Base-Backbone interact. energy: -0.064
local terms energy: -75.705889
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -213.230886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.230886 (E_RNA)
where:
Base-Base interactions energy: -147.234
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.453
local terms energy: -65.543703
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -220.133564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.133564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.133564 (E_RNA)
where:
Base-Base interactions energy: -157.001
where: short stacking energy: -66.601
Base-Backbone interact. energy: -1.123
local terms energy: -62.010123
where:
bonds (distance) C4'-P energy: -6.186
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -211.501933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.501933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.501933 (E_RNA)
where:
Base-Base interactions energy: -142.805
where: short stacking energy: -52.242
Base-Backbone interact. energy: 0.254
local terms energy: -68.950721
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -170.955380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.955380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.955380 (E_RNA)
where:
Base-Base interactions energy: -111.086
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.187
local terms energy: -59.682536
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -152.425010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.425010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.425010 (E_RNA)
where:
Base-Base interactions energy: -89.235
where: short stacking energy: -42.583
Base-Backbone interact. energy: -0.103
local terms energy: -63.087717
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -155.808872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.808872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.808872 (E_RNA)
where:
Base-Base interactions energy: -95.726
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.385
local terms energy: -59.698174
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -14.799
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: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -94.572214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.572214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.572214 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -36.092
Base-Backbone interact. energy: -0.121
local terms energy: -58.359218
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -270.961971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.961971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.961971 (E_RNA)
where:
Base-Base interactions energy: -184.685
where: short stacking energy: -80.570
Base-Backbone interact. energy: -1.150
local terms energy: -85.126480
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -261.057084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.057084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.057084 (E_RNA)
where:
Base-Base interactions energy: -189.368
where: short stacking energy: -68.645
Base-Backbone interact. energy: -0.223
local terms energy: -71.466134
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -16.678
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: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -220.296965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.296965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.296965 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.168
local terms energy: -66.021241
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -1.952
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: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -216.374958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.374958 (E_RNA)
where:
Base-Base interactions energy: -136.273
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.093
local terms energy: -80.009192
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -231.680003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.680003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.680003 (E_RNA)
where:
Base-Base interactions energy: -160.423
where: short stacking energy: -64.808
Base-Backbone interact. energy: -0.281
local terms energy: -70.975975
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -198.995510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.995510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.995510 (E_RNA)
where:
Base-Base interactions energy: -128.078
where: short stacking energy: -47.459
Base-Backbone interact. energy: -3.032
local terms energy: -67.885930
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -160.368328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.368328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.368328 (E_RNA)
where:
Base-Base interactions energy: -106.206
where: short stacking energy: -51.964
Base-Backbone interact. energy: 0.953
local terms energy: -55.115986
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -166.514777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.514777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.514777 (E_RNA)
where:
Base-Base interactions energy: -101.778
where: short stacking energy: -58.139
Base-Backbone interact. energy: -0.060
local terms energy: -64.676370
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -12.384
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: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -146.090720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.090720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.090720 (E_RNA)
where:
Base-Base interactions energy: -83.106
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.135
local terms energy: -62.850370
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -85.605280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.605280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.605280 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -32.908
Base-Backbone interact. energy: -0.283
local terms energy: -42.055432
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -275.185167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.185167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.185167 (E_RNA)
where:
Base-Base interactions energy: -197.073
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.077
local terms energy: -78.035158
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -21.990
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: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -258.701259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.701259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.701259 (E_RNA)
where:
Base-Base interactions energy: -179.723
where: short stacking energy: -67.802
Base-Backbone interact. energy: -0.139
local terms energy: -78.839287
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -16.779
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: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -232.733484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.733484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.733484 (E_RNA)
where:
Base-Base interactions energy: -164.841
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.114
local terms energy: -67.777743
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -225.150551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.150551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.150551 (E_RNA)
where:
Base-Base interactions energy: -151.241
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.475
local terms energy: -73.434440
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -13.576
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: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -220.662238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.662238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.662238 (E_RNA)
where:
Base-Base interactions energy: -148.419
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.203
local terms energy: -72.040051
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -14.403
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -213.025215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.025215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025215 (E_RNA)
where:
Base-Base interactions energy: -145.181
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.342
local terms energy: -67.501793
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -12.317
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: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -171.351033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.351033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.351033 (E_RNA)
where:
Base-Base interactions energy: -109.363
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.117
local terms energy: -61.871069
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -153.664192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.664192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.664192 (E_RNA)
where:
Base-Base interactions energy: -94.157
where: short stacking energy: -48.477
Base-Backbone interact. energy: -0.378
local terms energy: -59.129072
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -148.878859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.878859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.878859 (E_RNA)
where:
Base-Base interactions energy: -92.768
where: short stacking energy: -48.815
Base-Backbone interact. energy: -0.338
local terms energy: -55.772946
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.389601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.389601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.389601 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -26.299
Base-Backbone interact. energy: 0.131
local terms energy: -47.639567
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -265.807544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.807544 (E_RNA)
where:
Base-Base interactions energy: -187.498
where: short stacking energy: -75.629
Base-Backbone interact. energy: -0.308
local terms energy: -78.001609
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.471
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: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -260.849267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.849267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.849267 (E_RNA)
where:
Base-Base interactions energy: -185.385
where: short stacking energy: -75.450
Base-Backbone interact. energy: -0.364
local terms energy: -75.100048
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -229.017879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.017879 (E_RNA)
where:
Base-Base interactions energy: -168.099
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.345
local terms energy: -60.573066
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -1.866
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -219.039832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039832 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -57.153
Base-Backbone interact. energy: -1.592
local terms energy: -69.387871
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -201.785707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.785707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.785707 (E_RNA)
where:
Base-Base interactions energy: -140.366
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.787
local terms energy: -60.632322
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -183.262203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.262203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.262203 (E_RNA)
where:
Base-Base interactions energy: -113.852
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.243
local terms energy: -69.167196
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -13.114
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: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -165.471748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.471748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.471748 (E_RNA)
where:
Base-Base interactions energy: -98.883
where: short stacking energy: -48.008
Base-Backbone interact. energy: -0.244
local terms energy: -66.344040
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -162.830621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.830621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.830621 (E_RNA)
where:
Base-Base interactions energy: -97.001
where: short stacking energy: -48.524
Base-Backbone interact. energy: -0.150
local terms energy: -65.678817
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -150.173342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.173342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.173342 (E_RNA)
where:
Base-Base interactions energy: -93.175
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.276
local terms energy: -56.722551
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -8.675
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: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -80.630774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.630774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.630774 (E_RNA)
where:
Base-Base interactions energy: -34.956
where: short stacking energy: -32.346
Base-Backbone interact. energy: 1.744
local terms energy: -47.418512
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: 1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -263.525451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.525451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.525451 (E_RNA)
where:
Base-Base interactions energy: -179.746
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.323
local terms energy: -83.455661
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -22.554
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: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -263.853326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.853326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.853326 (E_RNA)
where:
Base-Base interactions energy: -192.877
where: short stacking energy: -76.693
Base-Backbone interact. energy: -0.186
local terms energy: -70.789958
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -23.363
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: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -235.469036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.469036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.469036 (E_RNA)
where:
Base-Base interactions energy: -160.597
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.701
local terms energy: -74.171417
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -19.498
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: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -227.285148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.285148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.285148 (E_RNA)
where:
Base-Base interactions energy: -156.400
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.103
local terms energy: -70.781545
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -224.965221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.965221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.965221 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -58.383
Base-Backbone interact. energy: 1.070
local terms energy: -71.725450
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -167.141059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.141059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.141059 (E_RNA)
where:
Base-Base interactions energy: -115.468
where: short stacking energy: -46.460
Base-Backbone interact. energy: -0.136
local terms energy: -51.536296
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -187.880764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.880764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.880764 (E_RNA)
where:
Base-Base interactions energy: -130.912
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.232
local terms energy: -56.736706
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -7.259
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -182.018616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.018616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.018616 (E_RNA)
where:
Base-Base interactions energy: -120.598
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.078
local terms energy: -61.342123
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -5.934
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -152.017055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.017055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.017055 (E_RNA)
where:
Base-Base interactions energy: -91.626
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.281
local terms energy: -60.109536
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -83.610549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.610549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.610549 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -31.603
Base-Backbone interact. energy: 0.229
local terms energy: -49.320071
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -3.629
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: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -270.627513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.627513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.627513 (E_RNA)
where:
Base-Base interactions energy: -189.399
where: short stacking energy: -81.192
Base-Backbone interact. energy: -1.323
local terms energy: -79.904909
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -19.886
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: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -263.466805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.466805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.466805 (E_RNA)
where:
Base-Base interactions energy: -180.701
where: short stacking energy: -75.802
Base-Backbone interact. energy: -0.226
local terms energy: -82.540214
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -240.368696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.368696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.368696 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.293
local terms energy: -70.319731
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -220.373654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.373654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.373654 (E_RNA)
where:
Base-Base interactions energy: -153.418
where: short stacking energy: -59.357
Base-Backbone interact. energy: -1.019
local terms energy: -65.936403
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -218.969853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.969853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.969853 (E_RNA)
where:
Base-Base interactions energy: -158.614
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.119
local terms energy: -60.236398
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -13.605
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: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -164.855287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.855287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.855287 (E_RNA)
where:
Base-Base interactions energy: -97.103
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.002
local terms energy: -67.750609
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -225.219618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.219618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.219618 (E_RNA)
where:
Base-Base interactions energy: -157.811
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.127
local terms energy: -67.281580
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -7.330
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: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -199.912062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.912062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.912062 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.084
local terms energy: -63.524976
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.611
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: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -147.920025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.920025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.920025 (E_RNA)
where:
Base-Base interactions energy: -92.038
where: short stacking energy: -43.788
Base-Backbone interact. energy: 0.932
local terms energy: -56.813297
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -79.368112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.368112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.368112 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -21.417
Base-Backbone interact. energy: 0.673
local terms energy: -45.762258
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -270.688906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.688906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.688906 (E_RNA)
where:
Base-Base interactions energy: -191.963
where: short stacking energy: -76.152
Base-Backbone interact. energy: -1.582
local terms energy: -77.144354
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -267.951369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.951369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.951369 (E_RNA)
where:
Base-Base interactions energy: -194.843
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.030
local terms energy: -73.077703
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -22.363
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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -234.748136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.748136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.748136 (E_RNA)
where:
Base-Base interactions energy: -163.985
where: short stacking energy: -66.522
Base-Backbone interact. energy: 0.918
local terms energy: -71.681624
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -15.757
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -218.670127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.670127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.670127 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.352
local terms energy: -72.336092
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -9.855
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: 241
Temperature: 1.100000
Total energy: -217.318100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.318100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.318100 (E_RNA)
where:
Base-Base interactions energy: -146.900
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.031
local terms energy: -70.386906
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -209.810016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810016 (E_RNA)
where:
Base-Base interactions energy: -140.304
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.650
local terms energy: -68.856031
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -158.958523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.958523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.958523 (E_RNA)
where:
Base-Base interactions energy: -95.709
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.112
local terms energy: -63.136881
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -158.880306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.880306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.880306 (E_RNA)
where:
Base-Base interactions energy: -99.745
where: short stacking energy: -48.611
Base-Backbone interact. energy: 0.088
local terms energy: -59.223645
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -186.521140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.521140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.521140 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -51.653
Base-Backbone interact. energy: -0.370
local terms energy: -70.867739
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -95.682957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682957 (E_RNA)
where:
Base-Base interactions energy: -52.124
where: short stacking energy: -31.948
Base-Backbone interact. energy: -0.095
local terms energy: -43.463540
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -274.032394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.032394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.032394 (E_RNA)
where:
Base-Base interactions energy: -192.724
where: short stacking energy: -72.322
Base-Backbone interact. energy: -0.660
local terms energy: -80.648265
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -265.093468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.093468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.093468 (E_RNA)
where:
Base-Base interactions energy: -184.155
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.056
local terms energy: -80.882814
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -23.554
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: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -233.265587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.265587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.265587 (E_RNA)
where:
Base-Base interactions energy: -163.865
where: short stacking energy: -69.364
Base-Backbone interact. energy: -0.199
local terms energy: -69.201102
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -15.451
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: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -222.271837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.271837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.271837 (E_RNA)
where:
Base-Base interactions energy: -152.484
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.703
local terms energy: -69.084743
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -208.508263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.508263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.508263 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.789
local terms energy: -72.679585
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -208.227150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.227150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.227150 (E_RNA)
where:
Base-Base interactions energy: -140.163
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.183
local terms energy: -67.880896
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -167.714090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.714090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.714090 (E_RNA)
where:
Base-Base interactions energy: -109.400
where: short stacking energy: -55.644
Base-Backbone interact. energy: 0.221
local terms energy: -58.535067
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -161.321299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.321299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.321299 (E_RNA)
where:
Base-Base interactions energy: -97.259
where: short stacking energy: -50.587
Base-Backbone interact. energy: -0.440
local terms energy: -63.621603
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -6.704
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)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -180.146970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.146970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.146970 (E_RNA)
where:
Base-Base interactions energy: -114.790
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.308
local terms energy: -65.049257
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -92.039094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039094 (E_RNA)
where:
Base-Base interactions energy: -47.294
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.130
local terms energy: -44.615854
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: 0.029
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -279.108808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.108808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.108808 (E_RNA)
where:
Base-Base interactions energy: -198.302
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.011
local terms energy: -80.795350
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -263.080097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.080097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.080097 (E_RNA)
where:
Base-Base interactions energy: -179.582
where: short stacking energy: -76.316
Base-Backbone interact. energy: -0.121
local terms energy: -83.377044
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -233.546089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.546089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.546089 (E_RNA)
where:
Base-Base interactions energy: -152.699
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.139
local terms energy: -80.708916
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -12.705
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: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -230.816660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.816660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.816660 (E_RNA)
where:
Base-Base interactions energy: -161.450
where: short stacking energy: -70.870
Base-Backbone interact. energy: -0.088
local terms energy: -69.278910
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -14.948
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: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -215.002674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.002674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.002674 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -58.804
Base-Backbone interact. energy: 1.641
local terms energy: -71.186404
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -11.665
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -213.581296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.581296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.581296 (E_RNA)
where:
Base-Base interactions energy: -149.363
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.263
local terms energy: -63.954722
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -9.984
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)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -168.299736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.299736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.299736 (E_RNA)
where:
Base-Base interactions energy: -102.250
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.001
local terms energy: -66.049598
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -184.695087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.695087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.695087 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -50.976
Base-Backbone interact. energy: -0.014
local terms energy: -69.905182
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -164.552178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.552178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.552178 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -48.004
Base-Backbone interact. energy: 0.574
local terms energy: -53.347614
where:
bonds (distance) C4'-P energy: -7.822
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -88.370706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.370706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.370706 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -25.996
Base-Backbone interact. energy: -0.937
local terms energy: -45.530927
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -8.664
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -10.837
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: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -267.310389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.310389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.310389 (E_RNA)
where:
Base-Base interactions energy: -182.701
where: short stacking energy: -74.649
Base-Backbone interact. energy: -0.679
local terms energy: -83.929796
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -23.328
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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -268.580802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.580802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.580802 (E_RNA)
where:
Base-Base interactions energy: -194.322
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.007
local terms energy: -74.252684
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -22.506
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: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -225.956639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.956639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.956639 (E_RNA)
where:
Base-Base interactions energy: -157.784
where: short stacking energy: -71.102
Base-Backbone interact. energy: 0.106
local terms energy: -68.279599
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -2.542
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: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -232.229261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.229261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.229261 (E_RNA)
where:
Base-Base interactions energy: -162.091
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.494
local terms energy: -69.644459
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -212.818207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.818207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.818207 (E_RNA)
where:
Base-Base interactions energy: -160.725
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.717
local terms energy: -51.376414
where:
bonds (distance) C4'-P energy: -6.578
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -13.913
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -207.547930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.547930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.547930 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.205
local terms energy: -64.510981
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -162.627594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.627594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.627594 (E_RNA)
where:
Base-Base interactions energy: -104.053
where: short stacking energy: -51.856
Base-Backbone interact. energy: -0.150
local terms energy: -58.425125
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -174.577886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.577886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.577886 (E_RNA)
where:
Base-Base interactions energy: -124.557
where: short stacking energy: -49.776
Base-Backbone interact. energy: -0.434
local terms energy: -49.587207
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -82.686319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686319 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -17.067
Base-Backbone interact. energy: -0.463
local terms energy: -45.879349
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -9.575
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)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -147.925700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.925700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.925700 (E_RNA)
where:
Base-Base interactions energy: -92.326
where: short stacking energy: -39.776
Base-Backbone interact. energy: 0.286
local terms energy: -55.885648
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -6.324
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: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -268.653696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.653696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.653696 (E_RNA)
where:
Base-Base interactions energy: -189.518
where: short stacking energy: -80.269
Base-Backbone interact. energy: -0.957
local terms energy: -78.178552
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -23.017
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -267.963561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.963561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.963561 (E_RNA)
where:
Base-Base interactions energy: -184.790
where: short stacking energy: -82.169
Base-Backbone interact. energy: -0.003
local terms energy: -83.170306
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -22.216
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: 245
Temperature: 1.000000
Total energy: -239.583327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.583327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.583327 (E_RNA)
where:
Base-Base interactions energy: -161.821
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.154
local terms energy: -77.608423
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -238.621732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.621732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.621732 (E_RNA)
where:
Base-Base interactions energy: -164.926
where: short stacking energy: -78.457
Base-Backbone interact. energy: -0.640
local terms energy: -73.054971
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -17.314
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -214.282937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.282937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.282937 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -60.403
Base-Backbone interact. energy: -1.213
local terms energy: -60.579607
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -201.744169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.744169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.744169 (E_RNA)
where:
Base-Base interactions energy: -132.579
where: short stacking energy: -47.100
Base-Backbone interact. energy: -1.516
local terms energy: -67.649029
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -154.443045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.443045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.443045 (E_RNA)
where:
Base-Base interactions energy: -89.632
where: short stacking energy: -44.564
Base-Backbone interact. energy: 0.198
local terms energy: -65.008368
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -6.204
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -187.366383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.366383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.366383 (E_RNA)
where:
Base-Base interactions energy: -123.768
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.099
local terms energy: -63.499301
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.841
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: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -86.082510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.082510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.082510 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -32.193
Base-Backbone interact. energy: -0.180
local terms energy: -52.233850
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -147.275075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.275075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.275075 (E_RNA)
where:
Base-Base interactions energy: -95.996
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.091
local terms energy: -51.188072
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -7.935
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -271.969867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.969867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.969867 (E_RNA)
where:
Base-Base interactions energy: -189.621
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.072
local terms energy: -82.276808
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -269.487855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.487855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.487855 (E_RNA)
where:
Base-Base interactions energy: -187.130
where: short stacking energy: -77.923
Base-Backbone interact. energy: -1.747
local terms energy: -80.609935
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -22.934
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: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -233.976679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.976679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.976679 (E_RNA)
where:
Base-Base interactions energy: -163.494
where: short stacking energy: -67.399
Base-Backbone interact. energy: -0.425
local terms energy: -70.057118
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -230.627226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.627226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.627226 (E_RNA)
where:
Base-Base interactions energy: -155.958
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.426
local terms energy: -74.243608
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -7.721
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -207.472124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.472124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.472124 (E_RNA)
where:
Base-Base interactions energy: -139.744
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.264
local terms energy: -67.464532
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -16.916
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: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -210.300714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.300714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.300714 (E_RNA)
where:
Base-Base interactions energy: -150.303
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.143
local terms energy: -59.854900
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -8.762
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: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -186.139458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.139458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.139458 (E_RNA)
where:
Base-Base interactions energy: -119.648
where: short stacking energy: -61.387
Base-Backbone interact. energy: 0.030
local terms energy: -66.521342
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -154.454723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.454723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.454723 (E_RNA)
where:
Base-Base interactions energy: -95.469
where: short stacking energy: -52.013
Base-Backbone interact. energy: -0.288
local terms energy: -58.697398
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -139.802201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.802201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.802201 (E_RNA)
where:
Base-Base interactions energy: -85.648
where: short stacking energy: -36.264
Base-Backbone interact. energy: -0.445
local terms energy: -53.709444
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -82.041147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.041147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.041147 (E_RNA)
where:
Base-Base interactions energy: -22.284
where: short stacking energy: -20.396
Base-Backbone interact. energy: 0.613
local terms energy: -60.369654
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -265.042679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.042679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.042679 (E_RNA)
where:
Base-Base interactions energy: -184.117
where: short stacking energy: -73.474
Base-Backbone interact. energy: -0.053
local terms energy: -80.873506
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -266.072925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.072925 (E_RNA)
where:
Base-Base interactions energy: -183.790
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.005
local terms energy: -82.278187
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -222.364510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.364510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.364510 (E_RNA)
where:
Base-Base interactions energy: -149.525
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.566
local terms energy: -72.273516
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -240.166590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.166590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.166590 (E_RNA)
where:
Base-Base interactions energy: -159.542
where: short stacking energy: -63.758
Base-Backbone interact. energy: -1.254
local terms energy: -79.370903
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -16.683
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: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -230.513328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.513328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.513328 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -60.224
Base-Backbone interact. energy: -1.060
local terms energy: -70.422272
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.079
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: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -209.725509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.725509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.725509 (E_RNA)
where:
Base-Base interactions energy: -139.923
where: short stacking energy: -52.316
Base-Backbone interact. energy: -0.549
local terms energy: -69.254118
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -188.109347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.109347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.109347 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.444
local terms energy: -64.175811
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -9.950
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: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -157.018219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.018219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.018219 (E_RNA)
where:
Base-Base interactions energy: -97.727
where: short stacking energy: -51.282
Base-Backbone interact. energy: -0.317
local terms energy: -58.974465
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -139.453962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.453962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.453962 (E_RNA)
where:
Base-Base interactions energy: -93.535
where: short stacking energy: -51.082
Base-Backbone interact. energy: 0.621
local terms energy: -46.540243
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -83.527168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.527168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.527168 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -35.484
Base-Backbone interact. energy: -0.063
local terms energy: -47.980678
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -270.130944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.130944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.130944 (E_RNA)
where:
Base-Base interactions energy: -183.903
where: short stacking energy: -78.581
Base-Backbone interact. energy: -0.502
local terms energy: -85.725476
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -271.651920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.651920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.651920 (E_RNA)
where:
Base-Base interactions energy: -190.885
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.035
local terms energy: -80.731647
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -21.271
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: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -233.123219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.123219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.123219 (E_RNA)
where:
Base-Base interactions energy: -163.563
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.148
local terms energy: -69.411982
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -232.200384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.200384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.200384 (E_RNA)
where:
Base-Base interactions energy: -161.957
where: short stacking energy: -68.508
Base-Backbone interact. energy: 1.239
local terms energy: -71.481827
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -15.059
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: 248
Temperature: 1.100000
Total energy: -211.194581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.194581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.194581 (E_RNA)
where:
Base-Base interactions energy: -142.412
where: short stacking energy: -57.616
Base-Backbone interact. energy: 0.147
local terms energy: -68.930060
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -225.898415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.898415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.898415 (E_RNA)
where:
Base-Base interactions energy: -161.779
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.125
local terms energy: -63.993897
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -162.112866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.112866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.112866 (E_RNA)
where:
Base-Base interactions energy: -100.815
where: short stacking energy: -48.710
Base-Backbone interact. energy: -0.179
local terms energy: -61.118897
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -173.078379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.078379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.078379 (E_RNA)
where:
Base-Base interactions energy: -107.761
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.986
local terms energy: -64.330898
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -140.945934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.945934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.945934 (E_RNA)
where:
Base-Base interactions energy: -84.873
where: short stacking energy: -38.839
Base-Backbone interact. energy: 1.499
local terms energy: -57.572794
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -4.550
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: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -88.935242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.935242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.935242 (E_RNA)
where:
Base-Base interactions energy: -48.059
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.120
local terms energy: -40.755774
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -6.544
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -268.522224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.522224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.522224 (E_RNA)
where:
Base-Base interactions energy: -180.795
where: short stacking energy: -74.287
Base-Backbone interact. energy: -1.792
local terms energy: -85.934939
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -266.839971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.839971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.839971 (E_RNA)
where:
Base-Base interactions energy: -185.421
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.060
local terms energy: -81.358964
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -229.795901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.795901 (E_RNA)
where:
Base-Base interactions energy: -158.554
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.370
local terms energy: -70.871885
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -220.626563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.626563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626563 (E_RNA)
where:
Base-Base interactions energy: -145.029
where: short stacking energy: -66.624
Base-Backbone interact. energy: 0.843
local terms energy: -76.440154
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -228.118925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.118925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.118925 (E_RNA)
where:
Base-Base interactions energy: -165.109
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.169
local terms energy: -62.841715
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -206.066134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.066134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.066134 (E_RNA)
where:
Base-Base interactions energy: -138.000
where: short stacking energy: -56.226
Base-Backbone interact. energy: -0.578
local terms energy: -67.488368
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -179.687169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.687169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.687169 (E_RNA)
where:
Base-Base interactions energy: -109.290
where: short stacking energy: -62.993
Base-Backbone interact. energy: -0.011
local terms energy: -70.386694
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -150.481992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.481992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.481992 (E_RNA)
where:
Base-Base interactions energy: -91.649
where: short stacking energy: -40.121
Base-Backbone interact. energy: -0.023
local terms energy: -58.809479
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -178.185250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.185250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.185250 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.130
local terms energy: -65.932635
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -13.976
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: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -92.240235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.240235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.240235 (E_RNA)
where:
Base-Base interactions energy: -49.727
where: short stacking energy: -33.060
Base-Backbone interact. energy: 2.179
local terms energy: -44.691688
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -3.033
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: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -266.154620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.154620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.154620 (E_RNA)
where:
Base-Base interactions energy: -181.142
where: short stacking energy: -72.758
Base-Backbone interact. energy: 0.041
local terms energy: -85.054232
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -21.505
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: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -264.258438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.258438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.258438 (E_RNA)
where:
Base-Base interactions energy: -183.785
where: short stacking energy: -70.782
Base-Backbone interact. energy: -0.177
local terms energy: -80.295784
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -223.788959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.788959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.788959 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.285
local terms energy: -70.370567
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -225.029319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.029319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.029319 (E_RNA)
where:
Base-Base interactions energy: -159.888
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.655
local terms energy: -64.486659
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.211
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)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -229.450354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.450354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.450354 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.387
local terms energy: -65.683956
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -207.166523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166523 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -59.302
Base-Backbone interact. energy: -0.008
local terms energy: -67.144356
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -167.973917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.973917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.973917 (E_RNA)
where:
Base-Base interactions energy: -117.792
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.210
local terms energy: -49.971524
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -152.478447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.478447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.478447 (E_RNA)
where:
Base-Base interactions energy: -90.347
where: short stacking energy: -42.056
Base-Backbone interact. energy: -0.723
local terms energy: -61.409015
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -183.701254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.701254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.701254 (E_RNA)
where:
Base-Base interactions energy: -112.664
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.048
local terms energy: -70.989299
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -77.270004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.270004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.270004 (E_RNA)
where:
Base-Base interactions energy: -33.018
where: short stacking energy: -15.987
Base-Backbone interact. energy: -0.706
local terms energy: -43.546266
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -270.402068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.402068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.402068 (E_RNA)
where:
Base-Base interactions energy: -185.761
where: short stacking energy: -81.132
Base-Backbone interact. energy: -0.372
local terms energy: -84.268440
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -24.546
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -252.689684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.689684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.689684 (E_RNA)
where:
Base-Base interactions energy: -178.290
where: short stacking energy: -70.589
Base-Backbone interact. energy: -0.193
local terms energy: -74.206814
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -17.828
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: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -220.849365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.849365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.849365 (E_RNA)
where:
Base-Base interactions energy: -142.311
where: short stacking energy: -60.330
Base-Backbone interact. energy: -0.373
local terms energy: -78.165890
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -225.355593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.355593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.355593 (E_RNA)
where:
Base-Base interactions energy: -151.793
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.340
local terms energy: -73.222790
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -218.502820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.502820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.502820 (E_RNA)
where:
Base-Base interactions energy: -153.711
where: short stacking energy: -60.144
Base-Backbone interact. energy: 0.562
local terms energy: -65.353897
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -199.902308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.902308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.902308 (E_RNA)
where:
Base-Base interactions energy: -128.290
where: short stacking energy: -44.472
Base-Backbone interact. energy: -0.679
local terms energy: -70.933306
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -11.423
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: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -173.689397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.689397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.689397 (E_RNA)
where:
Base-Base interactions energy: -124.544
where: short stacking energy: -54.159
Base-Backbone interact. energy: 0.071
local terms energy: -49.215824
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -193.022253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.022253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.022253 (E_RNA)
where:
Base-Base interactions energy: -127.446
where: short stacking energy: -45.800
Base-Backbone interact. energy: -0.266
local terms energy: -65.309910
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -12.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -154.702080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.702080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.702080 (E_RNA)
where:
Base-Base interactions energy: -91.353
where: short stacking energy: -43.681
Base-Backbone interact. energy: -0.652
local terms energy: -62.696827
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.825009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825009 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -30.513
Base-Backbone interact. energy: 0.541
local terms energy: -50.852996
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -272.211818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.211818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.211818 (E_RNA)
where:
Base-Base interactions energy: -189.209
where: short stacking energy: -80.062
Base-Backbone interact. energy: -1.378
local terms energy: -81.624539
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -24.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -261.256161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.256161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.256161 (E_RNA)
where:
Base-Base interactions energy: -185.381
where: short stacking energy: -69.038
Base-Backbone interact. energy: -0.021
local terms energy: -75.854178
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -238.275577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.275577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.275577 (E_RNA)
where:
Base-Base interactions energy: -166.228
where: short stacking energy: -66.419
Base-Backbone interact. energy: -0.215
local terms energy: -71.832745
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -209.989320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.989320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.989320 (E_RNA)
where:
Base-Base interactions energy: -148.008
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.404
local terms energy: -61.576870
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -227.473555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.473555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.473555 (E_RNA)
where:
Base-Base interactions energy: -156.651
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.530
local terms energy: -70.292435
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -11.817
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: 252
Temperature: 1.150000
Total energy: -222.324494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324494 (E_RNA)
where:
Base-Base interactions energy: -157.029
where: short stacking energy: -67.158
Base-Backbone interact. energy: 0.934
local terms energy: -66.229390
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -17.257
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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -168.468048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.468048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.468048 (E_RNA)
where:
Base-Base interactions energy: -110.152
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.073
local terms energy: -58.243006
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -172.269043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.269043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.269043 (E_RNA)
where:
Base-Base interactions energy: -105.901
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.062
local terms energy: -66.306441
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -88.152365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.152365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.152365 (E_RNA)
where:
Base-Base interactions energy: -37.569
where: short stacking energy: -36.763
Base-Backbone interact. energy: -0.088
local terms energy: -50.495915
where:
bonds (distance) C4'-P energy: -6.235
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -140.075630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.075630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.075630 (E_RNA)
where:
Base-Base interactions energy: -82.040
where: short stacking energy: -38.682
Base-Backbone interact. energy: -1.055
local terms energy: -56.980618
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -7.179
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: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -271.545378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.545378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.545378 (E_RNA)
where:
Base-Base interactions energy: -185.315
where: short stacking energy: -83.127
Base-Backbone interact. energy: -0.192
local terms energy: -86.038410
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -22.942
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: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -267.182766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.182766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.182766 (E_RNA)
where:
Base-Base interactions energy: -194.740
where: short stacking energy: -79.902
Base-Backbone interact. energy: -0.011
local terms energy: -72.431511
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -237.300725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.300725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.300725 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.125
local terms energy: -75.359542
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -16.744
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: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -214.347681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.347681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.347681 (E_RNA)
where:
Base-Base interactions energy: -143.132
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.280
local terms energy: -70.935191
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -12.336
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: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -208.731909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.731909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.731909 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.704
local terms energy: -70.972998
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -223.852100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.852100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.852100 (E_RNA)
where:
Base-Base interactions energy: -160.786
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.079
local terms energy: -62.987130
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -185.020279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.020279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.020279 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.308
local terms energy: -59.554271
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -160.307499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.307499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.307499 (E_RNA)
where:
Base-Base interactions energy: -90.474
where: short stacking energy: -46.535
Base-Backbone interact. energy: -0.098
local terms energy: -69.735738
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -91.038068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.038068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.038068 (E_RNA)
where:
Base-Base interactions energy: -32.272
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.204
local terms energy: -58.561622
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -143.451096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.451096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.451096 (E_RNA)
where:
Base-Base interactions energy: -84.527
where: short stacking energy: -44.779
Base-Backbone interact. energy: -0.015
local terms energy: -58.909889
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -9.566
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -269.863958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.863958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.863958 (E_RNA)
where:
Base-Base interactions energy: -192.339
where: short stacking energy: -69.893
Base-Backbone interact. energy: -0.107
local terms energy: -77.418124
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -264.791328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.791328 (E_RNA)
where:
Base-Base interactions energy: -180.678
where: short stacking energy: -76.154
Base-Backbone interact. energy: 0.322
local terms energy: -84.434893
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -231.980661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.980661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.980661 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.839
local terms energy: -79.768124
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -211.648741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.648741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.648741 (E_RNA)
where:
Base-Base interactions energy: -142.385
where: short stacking energy: -56.385
Base-Backbone interact. energy: 0.351
local terms energy: -69.614143
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -214.474227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.474227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.474227 (E_RNA)
where:
Base-Base interactions energy: -148.998
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.050
local terms energy: -65.426232
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -14.258
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: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -215.429869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.429869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.429869 (E_RNA)
where:
Base-Base interactions energy: -146.205
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.863
local terms energy: -68.362600
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -12.852
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: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -171.022608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.022608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.022608 (E_RNA)
where:
Base-Base interactions energy: -106.309
where: short stacking energy: -61.726
Base-Backbone interact. energy: -0.083
local terms energy: -64.630021
where:
bonds (distance) C4'-P energy: -7.559
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -12.766
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -185.921202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.921202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.921202 (E_RNA)
where:
Base-Base interactions energy: -124.479
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.226
local terms energy: -61.215638
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -162.464266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.464266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.464266 (E_RNA)
where:
Base-Base interactions energy: -105.849
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.023
local terms energy: -56.592060
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -12.133
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: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -73.744848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.744848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.744848 (E_RNA)
where:
Base-Base interactions energy: -25.853
where: short stacking energy: -25.853
Base-Backbone interact. energy: -0.033
local terms energy: -47.858497
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -267.175813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.175813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.175813 (E_RNA)
where:
Base-Base interactions energy: -185.290
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.724
local terms energy: -81.161761
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -21.641
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -235.919991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.919991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.919991 (E_RNA)
where:
Base-Base interactions energy: -150.396
where: short stacking energy: -65.055
Base-Backbone interact. energy: -0.245
local terms energy: -85.279294
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -257.310041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.310041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.310041 (E_RNA)
where:
Base-Base interactions energy: -179.996
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.035
local terms energy: -77.278350
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -231.358418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.358418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.358418 (E_RNA)
where:
Base-Base interactions energy: -165.356
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.234
local terms energy: -65.768056
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -215.187356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.187356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.187356 (E_RNA)
where:
Base-Base interactions energy: -147.778
where: short stacking energy: -55.268
Base-Backbone interact. energy: -1.453
local terms energy: -65.956430
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -10.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -224.678278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.678278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.678278 (E_RNA)
where:
Base-Base interactions energy: -155.673
where: short stacking energy: -59.862
Base-Backbone interact. energy: 0.117
local terms energy: -69.122303
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -14.292
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: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -166.849527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.849527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.849527 (E_RNA)
where:
Base-Base interactions energy: -90.954
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.349
local terms energy: -75.546691
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -13.439
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: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -154.994321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.994321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.994321 (E_RNA)
where:
Base-Base interactions energy: -91.079
where: short stacking energy: -45.918
Base-Backbone interact. energy: -0.141
local terms energy: -63.774068
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -10.253
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: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -180.143117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.143117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.143117 (E_RNA)
where:
Base-Base interactions energy: -121.178
where: short stacking energy: -62.274
Base-Backbone interact. energy: -1.428
local terms energy: -57.537457
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -93.480296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480296 (E_RNA)
where:
Base-Base interactions energy: -47.303
where: short stacking energy: -31.032
Base-Backbone interact. energy: -0.073
local terms energy: -46.104403
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -267.268107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.268107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.268107 (E_RNA)
where:
Base-Base interactions energy: -187.957
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.003
local terms energy: -79.308462
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -20.440
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -233.190096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.190096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.190096 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -73.483
Base-Backbone interact. energy: 0.137
local terms energy: -77.406875
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.063
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: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -259.502023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.502023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.502023 (E_RNA)
where:
Base-Base interactions energy: -186.459
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.011
local terms energy: -73.032176
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -18.523
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: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -223.651297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.651297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.651297 (E_RNA)
where:
Base-Base interactions energy: -151.343
where: short stacking energy: -55.634
Base-Backbone interact. energy: -1.254
local terms energy: -71.054245
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -219.427623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.427623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.427623 (E_RNA)
where:
Base-Base interactions energy: -147.681
where: short stacking energy: -63.251
Base-Backbone interact. energy: -1.186
local terms energy: -70.560344
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -208.816878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.816878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.816878 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -59.018
Base-Backbone interact. energy: -0.367
local terms energy: -67.764812
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -13.110
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -174.887462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.887462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.887462 (E_RNA)
where:
Base-Base interactions energy: -107.338
where: short stacking energy: -61.846
Base-Backbone interact. energy: -0.334
local terms energy: -67.215938
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -173.824261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.824261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.824261 (E_RNA)
where:
Base-Base interactions energy: -100.467
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.017
local terms energy: -73.340100
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -199.692509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.692509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.692509 (E_RNA)
where:
Base-Base interactions energy: -129.415
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.070
local terms energy: -70.207524
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -144.686198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.686198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.686198 (E_RNA)
where:
Base-Base interactions energy: -96.815
where: short stacking energy: -37.201
Base-Backbone interact. energy: -0.144
local terms energy: -47.726857
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -8.968
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -4.358
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: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -267.635638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.635638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.635638 (E_RNA)
where:
Base-Base interactions energy: -183.236
where: short stacking energy: -73.729
Base-Backbone interact. energy: 1.031
local terms energy: -85.431463
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -262.610093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.610093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.610093 (E_RNA)
where:
Base-Base interactions energy: -175.920
where: short stacking energy: -71.349
Base-Backbone interact. energy: -1.032
local terms energy: -85.657481
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -20.442
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: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -228.350279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.350279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.350279 (E_RNA)
where:
Base-Base interactions energy: -154.338
where: short stacking energy: -67.490
Base-Backbone interact. energy: 0.978
local terms energy: -74.990370
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -237.624505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.624505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.624505 (E_RNA)
where:
Base-Base interactions energy: -166.502
where: short stacking energy: -68.242
Base-Backbone interact. energy: 1.536
local terms energy: -72.658151
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -209.558336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.558336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.558336 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -57.274
Base-Backbone interact. energy: -1.115
local terms energy: -71.546724
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -182.280972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.280972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.280972 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -57.177
Base-Backbone interact. energy: -0.009
local terms energy: -68.946633
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -218.419921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.419921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.419921 (E_RNA)
where:
Base-Base interactions energy: -157.660
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.733
local terms energy: -60.026639
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -244.018487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.018487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.018487 (E_RNA)
where:
Base-Base interactions energy: -170.946
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.241
local terms energy: -72.832328
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -149.813097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.813097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.813097 (E_RNA)
where:
Base-Base interactions energy: -92.044
where: short stacking energy: -44.219
Base-Backbone interact. energy: -0.086
local terms energy: -57.683182
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -9.775
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: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -157.562105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.562105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.562105 (E_RNA)
where:
Base-Base interactions energy: -102.362
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.462
local terms energy: -54.737915
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -268.207284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.207284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.207284 (E_RNA)
where:
Base-Base interactions energy: -186.088
where: short stacking energy: -80.208
Base-Backbone interact. energy: -0.998
local terms energy: -81.121112
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -263.464498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.464498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.464498 (E_RNA)
where:
Base-Base interactions energy: -182.193
where: short stacking energy: -77.684
Base-Backbone interact. energy: -1.389
local terms energy: -79.882465
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -233.226775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.226775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.226775 (E_RNA)
where:
Base-Base interactions energy: -155.581
where: short stacking energy: -70.810
Base-Backbone interact. energy: -0.256
local terms energy: -77.389407
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -221.663145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.663145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.663145 (E_RNA)
where:
Base-Base interactions energy: -148.242
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.029
local terms energy: -73.392826
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -226.662673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.662673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.662673 (E_RNA)
where:
Base-Base interactions energy: -157.818
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.326
local terms energy: -68.518048
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -15.846
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: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -170.610932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.610932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.610932 (E_RNA)
where:
Base-Base interactions energy: -98.208
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.101
local terms energy: -72.302235
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -255.203517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.203517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.203517 (E_RNA)
where:
Base-Base interactions energy: -191.476
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.304
local terms energy: -63.423622
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -198.026438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.026438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.026438 (E_RNA)
where:
Base-Base interactions energy: -136.186
where: short stacking energy: -62.050
Base-Backbone interact. energy: -0.616
local terms energy: -61.224711
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -149.678311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.678311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.678311 (E_RNA)
where:
Base-Base interactions energy: -93.490
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.074
local terms energy: -56.114386
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -6.637
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: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -137.352983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.352983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.352983 (E_RNA)
where:
Base-Base interactions energy: -85.903
where: short stacking energy: -41.918
Base-Backbone interact. energy: -0.918
local terms energy: -50.531810
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -270.607754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.607754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.607754 (E_RNA)
where:
Base-Base interactions energy: -184.374
where: short stacking energy: -73.439
Base-Backbone interact. energy: -1.097
local terms energy: -85.137530
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -21.838
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -265.579148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.579148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.579148 (E_RNA)
where:
Base-Base interactions energy: -177.599
where: short stacking energy: -72.851
Base-Backbone interact. energy: -0.804
local terms energy: -87.176333
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -22.659
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: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -232.275757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.275757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.275757 (E_RNA)
where:
Base-Base interactions energy: -164.324
where: short stacking energy: -66.748
Base-Backbone interact. energy: -0.210
local terms energy: -67.741401
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -228.742539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.742539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.742539 (E_RNA)
where:
Base-Base interactions energy: -149.431
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.175
local terms energy: -79.136164
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -216.966309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.966309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.966309 (E_RNA)
where:
Base-Base interactions energy: -147.943
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.256
local terms energy: -68.767820
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -257.204254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.204254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.204254 (E_RNA)
where:
Base-Base interactions energy: -191.373
where: short stacking energy: -77.957
Base-Backbone interact. energy: -0.007
local terms energy: -65.824400
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -20.241
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: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -162.857880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.857880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.857880 (E_RNA)
where:
Base-Base interactions energy: -107.729
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.437
local terms energy: -54.692201
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -14.209
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -134.924861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.924861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.924861 (E_RNA)
where:
Base-Base interactions energy: -78.042
where: short stacking energy: -35.616
Base-Backbone interact. energy: -1.097
local terms energy: -55.785755
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -193.912083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912083 (E_RNA)
where:
Base-Base interactions energy: -122.294
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.087
local terms energy: -71.531519
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -14.823
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: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -151.166350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.166350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.166350 (E_RNA)
where:
Base-Base interactions energy: -81.969
where: short stacking energy: -38.759
Base-Backbone interact. energy: -0.229
local terms energy: -68.968120
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -267.309414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.309414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.309414 (E_RNA)
where:
Base-Base interactions energy: -184.862
where: short stacking energy: -81.502
Base-Backbone interact. energy: -0.760
local terms energy: -81.686867
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -267.774963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.774963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.774963 (E_RNA)
where:
Base-Base interactions energy: -200.861
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.090
local terms energy: -66.824139
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -19.447
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: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -234.686044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.686044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.686044 (E_RNA)
where:
Base-Base interactions energy: -164.522
where: short stacking energy: -65.607
Base-Backbone interact. energy: 0.321
local terms energy: -70.485031
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -226.006743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.006743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006743 (E_RNA)
where:
Base-Base interactions energy: -152.279
where: short stacking energy: -60.403
Base-Backbone interact. energy: 0.723
local terms energy: -74.450420
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -252.174069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.174069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.174069 (E_RNA)
where:
Base-Base interactions energy: -179.864
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.200
local terms energy: -72.110035
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -14.732
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: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -201.834719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834719 (E_RNA)
where:
Base-Base interactions energy: -129.881
where: short stacking energy: -48.573
Base-Backbone interact. energy: -1.407
local terms energy: -70.546908
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -173.402299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.402299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.402299 (E_RNA)
where:
Base-Base interactions energy: -111.802
where: short stacking energy: -49.399
Base-Backbone interact. energy: -1.221
local terms energy: -60.379629
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -11.494
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: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -157.462161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.462161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.462161 (E_RNA)
where:
Base-Base interactions energy: -96.148
where: short stacking energy: -49.544
Base-Backbone interact. energy: -0.255
local terms energy: -61.058799
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -143.519856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.519856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.519856 (E_RNA)
where:
Base-Base interactions energy: -95.694
where: short stacking energy: -46.061
Base-Backbone interact. energy: 3.147
local terms energy: -50.972782
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -7.015
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -9.104
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: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -171.501895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.501895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.501895 (E_RNA)
where:
Base-Base interactions energy: -126.492
where: short stacking energy: -42.980
Base-Backbone interact. energy: 2.439
local terms energy: -47.448482
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -269.418574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.418574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.418574 (E_RNA)
where:
Base-Base interactions energy: -193.650
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.001
local terms energy: -75.767722
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -8.246
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -265.601710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.601710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.601710 (E_RNA)
where:
Base-Base interactions energy: -184.481
where: short stacking energy: -75.594
Base-Backbone interact. energy: -0.395
local terms energy: -80.725616
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -227.982708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.982708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.982708 (E_RNA)
where:
Base-Base interactions energy: -157.779
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.165
local terms energy: -70.038090
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -247.887017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.887017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.887017 (E_RNA)
where:
Base-Base interactions energy: -179.436
where: short stacking energy: -73.840
Base-Backbone interact. energy: -1.202
local terms energy: -67.249114
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -229.105894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105894 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -63.781
Base-Backbone interact. energy: -1.673
local terms energy: -68.767918
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -154.479555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.479555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.479555 (E_RNA)
where:
Base-Base interactions energy: -92.131
where: short stacking energy: -46.670
Base-Backbone interact. energy: -0.053
local terms energy: -62.295183
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -202.947213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.947213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.947213 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -53.928
Base-Backbone interact. energy: -0.465
local terms energy: -62.087052
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -10.740
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: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -157.192257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.192257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.192257 (E_RNA)
where:
Base-Base interactions energy: -92.847
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.126
local terms energy: -64.219497
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -152.860566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.860566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.860566 (E_RNA)
where:
Base-Base interactions energy: -85.265
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.071
local terms energy: -67.524962
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -11.816
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: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -144.175256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.175256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.175256 (E_RNA)
where:
Base-Base interactions energy: -85.363
where: short stacking energy: -44.243
Base-Backbone interact. energy: -0.992
local terms energy: -57.820138
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -266.542757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.542757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.542757 (E_RNA)
where:
Base-Base interactions energy: -182.559
where: short stacking energy: -77.897
Base-Backbone interact. energy: -0.006
local terms energy: -83.978011
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -261.922168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.922168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.922168 (E_RNA)
where:
Base-Base interactions energy: -183.706
where: short stacking energy: -75.240
Base-Backbone interact. energy: -0.689
local terms energy: -77.526942
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -22.535
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: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -255.005105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.005105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.005105 (E_RNA)
where:
Base-Base interactions energy: -181.565
where: short stacking energy: -70.213
Base-Backbone interact. energy: -0.245
local terms energy: -73.195089
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -227.750051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.750051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.750051 (E_RNA)
where:
Base-Base interactions energy: -157.784
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.947
local terms energy: -69.018873
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -12.603
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -216.873092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.873092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.873092 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.496
local terms energy: -77.963104
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -165.409571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.409571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.409571 (E_RNA)
where:
Base-Base interactions energy: -94.244
where: short stacking energy: -54.314
Base-Backbone interact. energy: -0.688
local terms energy: -70.477642
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -12.351
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: 262
Temperature: 1.200000
Total energy: -166.663381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.663381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.663381 (E_RNA)
where:
Base-Base interactions energy: -106.058
where: short stacking energy: -48.782
Base-Backbone interact. energy: -0.110
local terms energy: -60.495832
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -189.840674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.840674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.840674 (E_RNA)
where:
Base-Base interactions energy: -133.373
where: short stacking energy: -50.600
Base-Backbone interact. energy: -0.177
local terms energy: -56.290537
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -5.721
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: 262
Temperature: 1.300000
Total energy: -153.835578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.835578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.835578 (E_RNA)
where:
Base-Base interactions energy: -96.738
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.073
local terms energy: -57.024645
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -146.929905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.929905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.929905 (E_RNA)
where:
Base-Base interactions energy: -93.805
where: short stacking energy: -49.468
Base-Backbone interact. energy: -0.052
local terms energy: -53.072820
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -5.009
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -270.219353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.219353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.219353 (E_RNA)
where:
Base-Base interactions energy: -187.238
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.770
local terms energy: -82.212244
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -22.756
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: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -261.037015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.037015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.037015 (E_RNA)
where:
Base-Base interactions energy: -181.108
where: short stacking energy: -76.654
Base-Backbone interact. energy: -1.389
local terms energy: -78.540066
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -265.169354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.169354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.169354 (E_RNA)
where:
Base-Base interactions energy: -187.133
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.822
local terms energy: -77.213528
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -14.128
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: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -230.897779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.897779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.897779 (E_RNA)
where:
Base-Base interactions energy: -161.758
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.528
local terms energy: -68.611729
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -226.673723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.673723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.673723 (E_RNA)
where:
Base-Base interactions energy: -152.981
where: short stacking energy: -64.746
Base-Backbone interact. energy: -0.167
local terms energy: -73.526393
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -15.766
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: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -159.904374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.904374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.904374 (E_RNA)
where:
Base-Base interactions energy: -97.965
where: short stacking energy: -51.101
Base-Backbone interact. energy: -0.307
local terms energy: -61.632450
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -153.588355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.588355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.588355 (E_RNA)
where:
Base-Base interactions energy: -94.938
where: short stacking energy: -44.591
Base-Backbone interact. energy: -0.148
local terms energy: -58.502446
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -7.435
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: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -212.567396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.567396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.567396 (E_RNA)
where:
Base-Base interactions energy: -141.932
where: short stacking energy: -52.271
Base-Backbone interact. energy: -0.262
local terms energy: -70.373819
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -13.719
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: 263
Temperature: 1.300000
Total energy: -132.566339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.566339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.566339 (E_RNA)
where:
Base-Base interactions energy: -83.586
where: short stacking energy: -41.908
Base-Backbone interact. energy: -0.140
local terms energy: -48.840273
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -137.302132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.302132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.302132 (E_RNA)
where:
Base-Base interactions energy: -82.216
where: short stacking energy: -34.294
Base-Backbone interact. energy: -1.233
local terms energy: -53.853851
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -12.072
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: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -267.764064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.764064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.764064 (E_RNA)
where:
Base-Base interactions energy: -187.368
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.029
local terms energy: -80.367390
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -267.727610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.727610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.727610 (E_RNA)
where:
Base-Base interactions energy: -186.099
where: short stacking energy: -77.709
Base-Backbone interact. energy: -1.855
local terms energy: -79.774277
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -20.393
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: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -225.563881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.563881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.563881 (E_RNA)
where:
Base-Base interactions energy: -148.578
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.350
local terms energy: -76.635798
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -250.564920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.564920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.564920 (E_RNA)
where:
Base-Base interactions energy: -177.457
where: short stacking energy: -70.977
Base-Backbone interact. energy: -0.110
local terms energy: -72.998120
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -214.204985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.204985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.204985 (E_RNA)
where:
Base-Base interactions energy: -148.084
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.405
local terms energy: -65.715404
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -9.496
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: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -156.416598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.416598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.416598 (E_RNA)
where:
Base-Base interactions energy: -99.435
where: short stacking energy: -53.359
Base-Backbone interact. energy: -2.073
local terms energy: -54.908257
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -207.047825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.047825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.047825 (E_RNA)
where:
Base-Base interactions energy: -144.418
where: short stacking energy: -51.546
Base-Backbone interact. energy: 0.529
local terms energy: -63.159151
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -8.910
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: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -155.278390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.278390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.278390 (E_RNA)
where:
Base-Base interactions energy: -101.397
where: short stacking energy: -50.780
Base-Backbone interact. energy: -0.154
local terms energy: -53.726565
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -147.354086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.354086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.354086 (E_RNA)
where:
Base-Base interactions energy: -84.728
where: short stacking energy: -39.290
Base-Backbone interact. energy: 1.787
local terms energy: -64.412466
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -85.630852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.630852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.630852 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.039
local terms energy: -49.589002
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -269.965560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.965560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.965560 (E_RNA)
where:
Base-Base interactions energy: -190.605
where: short stacking energy: -76.641
Base-Backbone interact. energy: -0.250
local terms energy: -79.110360
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -239.818285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.818285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.818285 (E_RNA)
where:
Base-Base interactions energy: -164.086
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.450
local terms energy: -75.281864
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -253.036842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.036842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.036842 (E_RNA)
where:
Base-Base interactions energy: -176.318
where: short stacking energy: -67.148
Base-Backbone interact. energy: -0.173
local terms energy: -76.545648
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -265.629378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.629378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.629378 (E_RNA)
where:
Base-Base interactions energy: -187.184
where: short stacking energy: -74.251
Base-Backbone interact. energy: -0.051
local terms energy: -78.394410
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -22.756
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -210.936367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.936367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.936367 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.261
local terms energy: -68.382141
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -208.262138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.262138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.262138 (E_RNA)
where:
Base-Base interactions energy: -144.741
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.391
local terms energy: -63.130327
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -8.413
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: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -174.128752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.128752 (E_RNA)
where:
Base-Base interactions energy: -103.259
where: short stacking energy: -54.477
Base-Backbone interact. energy: 0.442
local terms energy: -71.311490
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -150.123682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.123682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.123682 (E_RNA)
where:
Base-Base interactions energy: -95.712
where: short stacking energy: -50.054
Base-Backbone interact. energy: -0.125
local terms energy: -54.286809
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -155.695841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.695841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.695841 (E_RNA)
where:
Base-Base interactions energy: -103.625
where: short stacking energy: -42.520
Base-Backbone interact. energy: -0.187
local terms energy: -51.883855
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -96.690842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.690842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.690842 (E_RNA)
where:
Base-Base interactions energy: -42.612
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.311
local terms energy: -53.768223
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -266.601339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.601339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.601339 (E_RNA)
where:
Base-Base interactions energy: -178.050
where: short stacking energy: -75.041
Base-Backbone interact. energy: -0.175
local terms energy: -88.375721
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -243.447308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447308 (E_RNA)
where:
Base-Base interactions energy: -166.173
where: short stacking energy: -71.170
Base-Backbone interact. energy: -0.353
local terms energy: -76.920443
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -259.090403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.090403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.090403 (E_RNA)
where:
Base-Base interactions energy: -179.131
where: short stacking energy: -68.921
Base-Backbone interact. energy: -0.002
local terms energy: -79.957551
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -21.521
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -258.577655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.577655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.577655 (E_RNA)
where:
Base-Base interactions energy: -174.339
where: short stacking energy: -71.454
Base-Backbone interact. energy: -1.721
local terms energy: -82.517440
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -20.253
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: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -211.396469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396469 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.343
local terms energy: -72.662974
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -15.376
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: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -198.583273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.583273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.583273 (E_RNA)
where:
Base-Base interactions energy: -139.963
where: short stacking energy: -54.959
Base-Backbone interact. energy: -1.484
local terms energy: -57.136294
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -13.488
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: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -154.214634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.214634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.214634 (E_RNA)
where:
Base-Base interactions energy: -101.386
where: short stacking energy: -51.182
Base-Backbone interact. energy: -1.328
local terms energy: -51.500274
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -171.482889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.482889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.482889 (E_RNA)
where:
Base-Base interactions energy: -108.780
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.309
local terms energy: -62.394330
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -86.341406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.341406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.341406 (E_RNA)
where:
Base-Base interactions energy: -29.798
where: short stacking energy: -20.702
Base-Backbone interact. energy: 0.421
local terms energy: -56.963908
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: 0.497
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: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -151.524544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.524544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.524544 (E_RNA)
where:
Base-Base interactions energy: -95.400
where: short stacking energy: -44.070
Base-Backbone interact. energy: -0.305
local terms energy: -55.819491
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -266.095949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.095949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.095949 (E_RNA)
where:
Base-Base interactions energy: -181.940
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.399
local terms energy: -83.757482
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -233.907595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.907595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.907595 (E_RNA)
where:
Base-Base interactions energy: -161.756
where: short stacking energy: -67.882
Base-Backbone interact. energy: -0.830
local terms energy: -71.321592
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -267.877911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.877911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.877911 (E_RNA)
where:
Base-Base interactions energy: -189.500
where: short stacking energy: -77.045
Base-Backbone interact. energy: -0.004
local terms energy: -78.373476
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -223.221638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.221638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.221638 (E_RNA)
where:
Base-Base interactions energy: -159.535
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.360
local terms energy: -63.326135
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -256.153747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.153747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.153747 (E_RNA)
where:
Base-Base interactions energy: -187.986
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.044
local terms energy: -68.123411
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -168.733836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.733836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.733836 (E_RNA)
where:
Base-Base interactions energy: -97.569
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.312
local terms energy: -70.852303
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -11.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -200.672136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.672136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.672136 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -49.165
Base-Backbone interact. energy: 0.404
local terms energy: -67.599031
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -163.626259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.626259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.626259 (E_RNA)
where:
Base-Base interactions energy: -105.274
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.091
local terms energy: -58.260490
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -86.083007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.083007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.083007 (E_RNA)
where:
Base-Base interactions energy: -35.637
where: short stacking energy: -28.779
Base-Backbone interact. energy: 0.538
local terms energy: -50.983402
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -7.785
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -133.642097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.642097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.642097 (E_RNA)
where:
Base-Base interactions energy: -81.644
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.712
local terms energy: -51.286655
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -6.672
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -266.142182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.142182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.142182 (E_RNA)
where:
Base-Base interactions energy: -184.319
where: short stacking energy: -68.581
Base-Backbone interact. energy: -0.509
local terms energy: -81.313268
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -235.629407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.629407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.629407 (E_RNA)
where:
Base-Base interactions energy: -163.386
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.167
local terms energy: -72.076319
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -254.968350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.968350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.968350 (E_RNA)
where:
Base-Base interactions energy: -182.054
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.024
local terms energy: -72.890168
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -220.383906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.383906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.383906 (E_RNA)
where:
Base-Base interactions energy: -151.794
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.464
local terms energy: -68.125151
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -251.115077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.115077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.115077 (E_RNA)
where:
Base-Base interactions energy: -177.873
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.720
local terms energy: -72.521953
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -22.598
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: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -169.162023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.162023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.162023 (E_RNA)
where:
Base-Base interactions energy: -100.257
where: short stacking energy: -52.296
Base-Backbone interact. energy: 0.155
local terms energy: -69.060275
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -202.477986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.477986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.477986 (E_RNA)
where:
Base-Base interactions energy: -132.440
where: short stacking energy: -53.078
Base-Backbone interact. energy: -2.186
local terms energy: -67.852092
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -184.560369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.560369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.560369 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -51.434
Base-Backbone interact. energy: -0.104
local terms energy: -60.872026
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -7.185
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)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -150.658225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.658225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.658225 (E_RNA)
where:
Base-Base interactions energy: -89.485
where: short stacking energy: -48.700
Base-Backbone interact. energy: -0.124
local terms energy: -61.049101
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -80.726177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.726177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.726177 (E_RNA)
where:
Base-Base interactions energy: -37.401
where: short stacking energy: -21.279
Base-Backbone interact. energy: -0.018
local terms energy: -43.307581
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -267.415718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.415718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.415718 (E_RNA)
where:
Base-Base interactions energy: -188.032
where: short stacking energy: -79.517
Base-Backbone interact. energy: -0.009
local terms energy: -79.375493
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -262.504779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.504779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.504779 (E_RNA)
where:
Base-Base interactions energy: -178.352
where: short stacking energy: -74.664
Base-Backbone interact. energy: -1.474
local terms energy: -82.678858
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -231.421890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.421890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.421890 (E_RNA)
where:
Base-Base interactions energy: -170.166
where: short stacking energy: -69.445
Base-Backbone interact. energy: -0.215
local terms energy: -61.041295
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -259.423222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.423222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.423222 (E_RNA)
where:
Base-Base interactions energy: -178.067
where: short stacking energy: -75.083
Base-Backbone interact. energy: -1.223
local terms energy: -80.133420
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -221.433208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.433208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.433208 (E_RNA)
where:
Base-Base interactions energy: -148.943
where: short stacking energy: -58.963
Base-Backbone interact. energy: -0.104
local terms energy: -72.386122
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -12.733
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: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -216.117904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.117904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.117904 (E_RNA)
where:
Base-Base interactions energy: -144.349
where: short stacking energy: -59.697
Base-Backbone interact. energy: -0.701
local terms energy: -71.067683
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -17.094
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -168.328523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.328523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.328523 (E_RNA)
where:
Base-Base interactions energy: -103.329
where: short stacking energy: -53.910
Base-Backbone interact. energy: -0.168
local terms energy: -64.831485
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -175.861310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.861310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.861310 (E_RNA)
where:
Base-Base interactions energy: -115.919
where: short stacking energy: -43.883
Base-Backbone interact. energy: -0.601
local terms energy: -59.342120
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -146.954175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.954175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.954175 (E_RNA)
where:
Base-Base interactions energy: -87.323
where: short stacking energy: -44.968
Base-Backbone interact. energy: -0.264
local terms energy: -59.366657
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -7.649
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: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -78.539807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.539807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.539807 (E_RNA)
where:
Base-Base interactions energy: -22.129
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.173
local terms energy: -56.237209
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -268.143703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.143703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.143703 (E_RNA)
where:
Base-Base interactions energy: -187.394
where: short stacking energy: -78.829
Base-Backbone interact. energy: -1.099
local terms energy: -79.650588
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -262.423041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.423041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.423041 (E_RNA)
where:
Base-Base interactions energy: -181.216
where: short stacking energy: -73.114
Base-Backbone interact. energy: -2.103
local terms energy: -79.104259
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -11.447
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: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -261.932883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.932883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.932883 (E_RNA)
where:
Base-Base interactions energy: -185.289
where: short stacking energy: -79.775
Base-Backbone interact. energy: -0.998
local terms energy: -75.646708
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -235.405692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.405692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.405692 (E_RNA)
where:
Base-Base interactions energy: -157.676
where: short stacking energy: -63.724
Base-Backbone interact. energy: -0.427
local terms energy: -77.303032
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -217.482639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.482639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.482639 (E_RNA)
where:
Base-Base interactions energy: -148.642
where: short stacking energy: -62.860
Base-Backbone interact. energy: 2.318
local terms energy: -71.158445
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -218.022812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.022812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.022812 (E_RNA)
where:
Base-Base interactions energy: -154.066
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.469
local terms energy: -63.487595
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -161.159052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.159052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.159052 (E_RNA)
where:
Base-Base interactions energy: -103.090
where: short stacking energy: -50.331
Base-Backbone interact. energy: -1.227
local terms energy: -56.843006
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -157.119132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.119132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.119132 (E_RNA)
where:
Base-Base interactions energy: -94.842
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.071
local terms energy: -62.206242
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -152.527606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.527606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.527606 (E_RNA)
where:
Base-Base interactions energy: -94.457
where: short stacking energy: -46.130
Base-Backbone interact. energy: -1.236
local terms energy: -56.835372
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -7.246
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: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -89.401850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.401850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.401850 (E_RNA)
where:
Base-Base interactions energy: -31.356
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.519
local terms energy: -57.527466
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -265.409412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.409412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.409412 (E_RNA)
where:
Base-Base interactions energy: -184.495
where: short stacking energy: -74.282
Base-Backbone interact. energy: 0.285
local terms energy: -81.200209
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -21.051
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: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -262.375713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.375713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.375713 (E_RNA)
where:
Base-Base interactions energy: -181.826
where: short stacking energy: -77.271
Base-Backbone interact. energy: -0.435
local terms energy: -80.114135
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -22.667
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: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -271.309465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.309465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.309465 (E_RNA)
where:
Base-Base interactions energy: -188.125
where: short stacking energy: -80.016
Base-Backbone interact. energy: -0.775
local terms energy: -82.410074
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -19.986
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: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -222.677866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.677866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.677866 (E_RNA)
where:
Base-Base interactions energy: -160.919
where: short stacking energy: -55.315
Base-Backbone interact. energy: -0.649
local terms energy: -61.109815
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -7.133
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: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -227.608556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.608556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.608556 (E_RNA)
where:
Base-Base interactions energy: -167.467
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.240
local terms energy: -59.901532
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -168.264529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.264529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264529 (E_RNA)
where:
Base-Base interactions energy: -97.489
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.082
local terms energy: -70.693747
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -11.953
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: 271
Temperature: 1.200000
Total energy: -196.636254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.636254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.636254 (E_RNA)
where:
Base-Base interactions energy: -141.670
where: short stacking energy: -56.173
Base-Backbone interact. energy: -0.477
local terms energy: -54.489663
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -163.254309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.254309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.254309 (E_RNA)
where:
Base-Base interactions energy: -103.085
where: short stacking energy: -49.042
Base-Backbone interact. energy: -0.513
local terms energy: -59.655817
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -151.880456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.880456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.880456 (E_RNA)
where:
Base-Base interactions energy: -97.331
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.023
local terms energy: -54.526090
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -10.182
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: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -105.533190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533190 (E_RNA)
where:
Base-Base interactions energy: -59.282
where: short stacking energy: -52.880
Base-Backbone interact. energy: 0.204
local terms energy: -46.455849
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -270.690187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.690187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.690187 (E_RNA)
where:
Base-Base interactions energy: -188.624
where: short stacking energy: -76.204
Base-Backbone interact. energy: -1.648
local terms energy: -80.417932
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -264.611689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.611689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.611689 (E_RNA)
where:
Base-Base interactions energy: -186.213
where: short stacking energy: -79.934
Base-Backbone interact. energy: -1.027
local terms energy: -77.371484
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -259.924706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.924706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.924706 (E_RNA)
where:
Base-Base interactions energy: -180.778
where: short stacking energy: -73.823
Base-Backbone interact. energy: 0.251
local terms energy: -79.397550
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -20.815
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: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -220.026874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.026874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.026874 (E_RNA)
where:
Base-Base interactions energy: -159.714
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.327
local terms energy: -59.986121
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -217.939963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.939963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.939963 (E_RNA)
where:
Base-Base interactions energy: -146.495
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.572
local terms energy: -70.873025
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -184.322581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322581 (E_RNA)
where:
Base-Base interactions energy: -119.254
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.019
local terms energy: -65.050353
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -210.120013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.120013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.120013 (E_RNA)
where:
Base-Base interactions energy: -146.815
where: short stacking energy: -54.250
Base-Backbone interact. energy: -0.746
local terms energy: -62.558624
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -159.174316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.174316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.174316 (E_RNA)
where:
Base-Base interactions energy: -95.893
where: short stacking energy: -51.823
Base-Backbone interact. energy: -1.397
local terms energy: -61.884702
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -89.817993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.817993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.817993 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -32.432
Base-Backbone interact. energy: -0.348
local terms energy: -54.822786
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -148.280948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.280948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.280948 (E_RNA)
where:
Base-Base interactions energy: -86.386
where: short stacking energy: -45.039
Base-Backbone interact. energy: -0.147
local terms energy: -61.748571
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -270.247699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.247699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.247699 (E_RNA)
where:
Base-Base interactions energy: -182.478
where: short stacking energy: -77.186
Base-Backbone interact. energy: -0.512
local terms energy: -87.257754
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -23.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -264.661145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.661145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.661145 (E_RNA)
where:
Base-Base interactions energy: -189.069
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.587
local terms energy: -75.004533
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -263.008286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.008286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.008286 (E_RNA)
where:
Base-Base interactions energy: -183.070
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.211
local terms energy: -79.727435
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -220.979810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.979810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.979810 (E_RNA)
where:
Base-Base interactions energy: -148.192
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.683
local terms energy: -72.105227
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.855
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: 273
Temperature: 1.100000
Total energy: -228.806716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.806716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.806716 (E_RNA)
where:
Base-Base interactions energy: -161.625
where: short stacking energy: -73.922
Base-Backbone interact. energy: -0.978
local terms energy: -66.203955
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.473
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: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -207.898364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.898364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.898364 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -61.420
Base-Backbone interact. energy: 2.160
local terms energy: -68.238278
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -11.944
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: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -159.542695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.542695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.542695 (E_RNA)
where:
Base-Base interactions energy: -103.543
where: short stacking energy: -46.268
Base-Backbone interact. energy: -0.083
local terms energy: -55.916738
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -5.649
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: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -152.506413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.506413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.506413 (E_RNA)
where:
Base-Base interactions energy: -98.499
where: short stacking energy: -48.983
Base-Backbone interact. energy: -0.063
local terms energy: -53.944157
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -88.607513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.607513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.607513 (E_RNA)
where:
Base-Base interactions energy: -39.470
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.500
local terms energy: -48.637312
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -9.341
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: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -130.541880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.541880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.541880 (E_RNA)
where:
Base-Base interactions energy: -70.340
where: short stacking energy: -43.781
Base-Backbone interact. energy: -0.176
local terms energy: -60.025829
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -269.371159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.371159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.371159 (E_RNA)
where:
Base-Base interactions energy: -185.174
where: short stacking energy: -77.623
Base-Backbone interact. energy: -0.703
local terms energy: -83.493986
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -265.396046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.396046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.396046 (E_RNA)
where:
Base-Base interactions energy: -186.186
where: short stacking energy: -76.707
Base-Backbone interact. energy: -1.676
local terms energy: -77.534642
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -21.599
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: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -231.318065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.318065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.318065 (E_RNA)
where:
Base-Base interactions energy: -154.946
where: short stacking energy: -62.240
Base-Backbone interact. energy: -0.226
local terms energy: -76.146632
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -256.257956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.257956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.257956 (E_RNA)
where:
Base-Base interactions energy: -173.289
where: short stacking energy: -71.165
Base-Backbone interact. energy: -0.473
local terms energy: -82.495552
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -233.141577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.141577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.141577 (E_RNA)
where:
Base-Base interactions energy: -155.736
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.249
local terms energy: -77.156253
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -17.647
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: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -222.454744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.454744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.454744 (E_RNA)
where:
Base-Base interactions energy: -159.013
where: short stacking energy: -64.889
Base-Backbone interact. energy: -0.054
local terms energy: -63.387910
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -8.762
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.831
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -174.070131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.070131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.070131 (E_RNA)
where:
Base-Base interactions energy: -107.508
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.060
local terms energy: -66.502405
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -12.642
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -154.706585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.706585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.706585 (E_RNA)
where:
Base-Base interactions energy: -95.152
where: short stacking energy: -46.851
Base-Backbone interact. energy: -0.247
local terms energy: -59.306888
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -154.032855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.032855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.032855 (E_RNA)
where:
Base-Base interactions energy: -90.051
where: short stacking energy: -46.995
Base-Backbone interact. energy: -0.243
local terms energy: -63.738555
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -92.152499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152499 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -34.298
Base-Backbone interact. energy: -0.101
local terms energy: -57.753273
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -5.202
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: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -264.988983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.988983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.988983 (E_RNA)
where:
Base-Base interactions energy: -183.521
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.743
local terms energy: -80.725450
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -17.712
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: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -265.033575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.033575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.033575 (E_RNA)
where:
Base-Base interactions energy: -182.094
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.008
local terms energy: -82.931830
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -227.824347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.824347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.824347 (E_RNA)
where:
Base-Base interactions energy: -152.136
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.221
local terms energy: -75.466376
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -222.840461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.840461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.840461 (E_RNA)
where:
Base-Base interactions energy: -157.091
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.192
local terms energy: -65.557355
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -16.323
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -250.520735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.520735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.520735 (E_RNA)
where:
Base-Base interactions energy: -169.974
where: short stacking energy: -67.132
Base-Backbone interact. energy: -1.255
local terms energy: -79.292148
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -225.239223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.239223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.239223 (E_RNA)
where:
Base-Base interactions energy: -160.810
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.280
local terms energy: -64.149135
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -15.779
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: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -165.751783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.751783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.751783 (E_RNA)
where:
Base-Base interactions energy: -104.575
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.291
local terms energy: -60.886151
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -8.576
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: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -153.859455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.859455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.859455 (E_RNA)
where:
Base-Base interactions energy: -94.574
where: short stacking energy: -53.854
Base-Backbone interact. energy: -0.009
local terms energy: -59.276011
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -152.014181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.014181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.014181 (E_RNA)
where:
Base-Base interactions energy: -95.014
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.345
local terms energy: -56.654856
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -94.683119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.683119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.683119 (E_RNA)
where:
Base-Base interactions energy: -44.254
where: short stacking energy: -25.837
Base-Backbone interact. energy: -0.753
local terms energy: -49.675946
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -2.397
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: 276
Temperature: 0.900000
Total energy: -265.240396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.240396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.240396 (E_RNA)
where:
Base-Base interactions energy: -189.655
where: short stacking energy: -73.028
Base-Backbone interact. energy: -0.170
local terms energy: -75.415905
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -255.932579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.932579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.932579 (E_RNA)
where:
Base-Base interactions energy: -178.849
where: short stacking energy: -71.747
Base-Backbone interact. energy: -1.313
local terms energy: -75.770481
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -19.010
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: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -234.503819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.503819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.503819 (E_RNA)
where:
Base-Base interactions energy: -167.246
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.223
local terms energy: -67.034968
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -227.119977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.119977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.119977 (E_RNA)
where:
Base-Base interactions energy: -155.331
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.308
local terms energy: -71.480683
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -14.921
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: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -255.017924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.017924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.017924 (E_RNA)
where:
Base-Base interactions energy: -170.133
where: short stacking energy: -74.792
Base-Backbone interact. energy: -0.242
local terms energy: -84.643400
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -212.805352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.805352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.805352 (E_RNA)
where:
Base-Base interactions energy: -141.340
where: short stacking energy: -54.049
Base-Backbone interact. energy: -0.928
local terms energy: -70.536877
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -174.951838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.951838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.951838 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.127
local terms energy: -61.500293
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -137.149437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.149437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.149437 (E_RNA)
where:
Base-Base interactions energy: -82.263
where: short stacking energy: -42.270
Base-Backbone interact. energy: 3.611
local terms energy: -58.497136
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -151.836784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.836784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.836784 (E_RNA)
where:
Base-Base interactions energy: -92.193
where: short stacking energy: -45.682
Base-Backbone interact. energy: -0.251
local terms energy: -59.392891
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -76.238332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.238332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.238332 (E_RNA)
where:
Base-Base interactions energy: -32.679
where: short stacking energy: -32.679
Base-Backbone interact. energy: -0.081
local terms energy: -43.477802
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -262.396572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.396572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.396572 (E_RNA)
where:
Base-Base interactions energy: -192.429
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.075
local terms energy: -69.892746
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -263.934782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.934782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.934782 (E_RNA)
where:
Base-Base interactions energy: -186.577
where: short stacking energy: -76.664
Base-Backbone interact. energy: 1.028
local terms energy: -78.386181
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -226.008951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.008951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.008951 (E_RNA)
where:
Base-Base interactions energy: -154.946
where: short stacking energy: -60.616
Base-Backbone interact. energy: -0.804
local terms energy: -70.258883
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -258.614160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.614160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.614160 (E_RNA)
where:
Base-Base interactions energy: -181.057
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.316
local terms energy: -77.241519
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -229.053536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.053536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.053536 (E_RNA)
where:
Base-Base interactions energy: -155.036
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.290
local terms energy: -73.727189
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -14.652
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -210.440863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.440863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.440863 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.129
local terms energy: -69.954932
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -168.138035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.138035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.138035 (E_RNA)
where:
Base-Base interactions energy: -102.290
where: short stacking energy: -50.227
Base-Backbone interact. energy: -0.441
local terms energy: -65.407890
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -156.934459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.934459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.934459 (E_RNA)
where:
Base-Base interactions energy: -96.300
where: short stacking energy: -51.102
Base-Backbone interact. energy: -0.183
local terms energy: -60.451141
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -89.782145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.782145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.782145 (E_RNA)
where:
Base-Base interactions energy: -37.548
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.110
local terms energy: -52.124401
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -88.762686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762686 (E_RNA)
where:
Base-Base interactions energy: -40.810
where: short stacking energy: -27.291
Base-Backbone interact. energy: 1.667
local terms energy: -49.620256
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -277.124736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.124736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.124736 (E_RNA)
where:
Base-Base interactions energy: -194.339
where: short stacking energy: -72.591
Base-Backbone interact. energy: -0.098
local terms energy: -82.687548
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -267.695032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.695032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.695032 (E_RNA)
where:
Base-Base interactions energy: -184.510
where: short stacking energy: -77.384
Base-Backbone interact. energy: -0.003
local terms energy: -83.182438
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -267.607568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.607568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.607568 (E_RNA)
where:
Base-Base interactions energy: -191.227
where: short stacking energy: -74.895
Base-Backbone interact. energy: -0.007
local terms energy: -76.372798
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -214.238581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.238581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.238581 (E_RNA)
where:
Base-Base interactions energy: -149.027
where: short stacking energy: -56.055
Base-Backbone interact. energy: -0.986
local terms energy: -64.225584
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -230.972626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.972626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.972626 (E_RNA)
where:
Base-Base interactions energy: -161.489
where: short stacking energy: -67.817
Base-Backbone interact. energy: 1.099
local terms energy: -70.583391
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -18.157
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: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -215.829397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.829397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829397 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -57.567
Base-Backbone interact. energy: 0.164
local terms energy: -68.155414
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -12.416
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -165.778948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.778948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.778948 (E_RNA)
where:
Base-Base interactions energy: -107.330
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.001
local terms energy: -58.447348
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -5.666
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -17.397
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: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -156.894015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.894015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.894015 (E_RNA)
where:
Base-Base interactions energy: -95.187
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.261
local terms energy: -61.445948
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -86.955960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955960 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.184
local terms energy: -49.371597
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -94.991156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.991156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.991156 (E_RNA)
where:
Base-Base interactions energy: -44.510
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.245
local terms energy: -50.236752
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -269.287014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.287014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.287014 (E_RNA)
where:
Base-Base interactions energy: -185.999
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.337
local terms energy: -82.951329
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -264.480222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.480222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.480222 (E_RNA)
where:
Base-Base interactions energy: -185.249
where: short stacking energy: -80.141
Base-Backbone interact. energy: -0.004
local terms energy: -79.227001
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -264.600820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.600820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.600820 (E_RNA)
where:
Base-Base interactions energy: -181.593
where: short stacking energy: -77.098
Base-Backbone interact. energy: -0.585
local terms energy: -82.422855
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -240.519861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.519861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.519861 (E_RNA)
where:
Base-Base interactions energy: -165.284
where: short stacking energy: -64.807
Base-Backbone interact. energy: -1.217
local terms energy: -74.019309
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -211.630578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.630578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.630578 (E_RNA)
where:
Base-Base interactions energy: -143.520
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.214
local terms energy: -67.896120
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -204.802273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.802273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.802273 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.219
local terms energy: -66.660479
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -161.489508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.489508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.489508 (E_RNA)
where:
Base-Base interactions energy: -99.139
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.037
local terms energy: -62.313499
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -97.363124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.363124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.363124 (E_RNA)
where:
Base-Base interactions energy: -42.148
where: short stacking energy: -42.148
Base-Backbone interact. energy: -0.055
local terms energy: -55.160749
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -153.931133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.931133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.931133 (E_RNA)
where:
Base-Base interactions energy: -99.133
where: short stacking energy: -53.207
Base-Backbone interact. energy: 0.130
local terms energy: -54.927522
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -12.501
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: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -88.004520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.004520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.004520 (E_RNA)
where:
Base-Base interactions energy: -46.861
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.467
local terms energy: -40.676873
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: -1.117
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -265.029365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.029365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.029365 (E_RNA)
where:
Base-Base interactions energy: -182.771
where: short stacking energy: -74.229
Base-Backbone interact. energy: -0.393
local terms energy: -81.865026
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -23.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -261.382530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.382530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.382530 (E_RNA)
where:
Base-Base interactions energy: -181.754
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.062
local terms energy: -79.567102
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -19.918
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: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -261.341060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.341060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.341060 (E_RNA)
where:
Base-Base interactions energy: -182.605
where: short stacking energy: -72.979
Base-Backbone interact. energy: -1.097
local terms energy: -77.639582
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -22.296
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: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -222.744466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.744466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.744466 (E_RNA)
where:
Base-Base interactions energy: -148.175
where: short stacking energy: -62.768
Base-Backbone interact. energy: -1.472
local terms energy: -73.097745
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -221.376229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.376229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.376229 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.454
local terms energy: -67.565428
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -11.235
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: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -207.909355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.909355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.909355 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.299
local terms energy: -62.477277
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -11.331
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -158.890196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.890196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.890196 (E_RNA)
where:
Base-Base interactions energy: -99.568
where: short stacking energy: -48.797
Base-Backbone interact. energy: -0.148
local terms energy: -59.174063
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -94.455235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.455235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.455235 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.160
local terms energy: -53.662086
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -0.172
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -140.965252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.965252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.965252 (E_RNA)
where:
Base-Base interactions energy: -87.389
where: short stacking energy: -45.427
Base-Backbone interact. energy: -0.189
local terms energy: -53.387155
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -83.934640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934640 (E_RNA)
where:
Base-Base interactions energy: -35.815
where: short stacking energy: -31.679
Base-Backbone interact. energy: 1.242
local terms energy: -49.362171
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -279.114756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.114756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.114756 (E_RNA)
where:
Base-Base interactions energy: -200.791
where: short stacking energy: -76.082
Base-Backbone interact. energy: -0.050
local terms energy: -78.273714
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -258.188042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.188042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.188042 (E_RNA)
where:
Base-Base interactions energy: -175.296
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.628
local terms energy: -82.264057
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -20.757
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: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -262.548071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.548071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.548071 (E_RNA)
where:
Base-Base interactions energy: -177.000
where: short stacking energy: -70.560
Base-Backbone interact. energy: -1.009
local terms energy: -84.539117
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -21.256
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -224.541973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.541973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.541973 (E_RNA)
where:
Base-Base interactions energy: -166.539
where: short stacking energy: -54.214
Base-Backbone interact. energy: -0.365
local terms energy: -57.638280
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -1.879
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -231.629318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.629318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.629318 (E_RNA)
where:
Base-Base interactions energy: -164.327
where: short stacking energy: -67.347
Base-Backbone interact. energy: 2.437
local terms energy: -69.738750
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -182.837497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.837497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.837497 (E_RNA)
where:
Base-Base interactions energy: -108.667
where: short stacking energy: -52.166
Base-Backbone interact. energy: 0.626
local terms energy: -74.797191
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -12.581
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -210.279642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.279642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.279642 (E_RNA)
where:
Base-Base interactions energy: -159.938
where: short stacking energy: -63.018
Base-Backbone interact. energy: 5.061
local terms energy: -55.402852
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -12.439
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: 281
Temperature: 1.250000
Total energy: -93.341376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341376 (E_RNA)
where:
Base-Base interactions energy: -37.798
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.247
local terms energy: -55.296385
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -91.416638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.416638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.416638 (E_RNA)
where:
Base-Base interactions energy: -31.744
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.007
local terms energy: -59.665056
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -89.629620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629620 (E_RNA)
where:
Base-Base interactions energy: -56.582
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.464
local terms energy: -32.583368
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -1.730
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -262.742989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.742989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.742989 (E_RNA)
where:
Base-Base interactions energy: -185.058
where: short stacking energy: -77.862
Base-Backbone interact. energy: 0.682
local terms energy: -78.366818
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -21.501
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: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -269.910558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.910558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.910558 (E_RNA)
where:
Base-Base interactions energy: -192.940
where: short stacking energy: -75.658
Base-Backbone interact. energy: -0.003
local terms energy: -76.967621
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -222.304267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304267 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.738
local terms energy: -76.254861
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -256.951849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.951849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.951849 (E_RNA)
where:
Base-Base interactions energy: -175.802
where: short stacking energy: -70.492
Base-Backbone interact. energy: -1.504
local terms energy: -79.646276
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -209.681840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.681840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.681840 (E_RNA)
where:
Base-Base interactions energy: -133.357
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.992
local terms energy: -75.332676
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -14.650
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -168.614890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.614890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.614890 (E_RNA)
where:
Base-Base interactions energy: -109.723
where: short stacking energy: -62.061
Base-Backbone interact. energy: 0.135
local terms energy: -59.026993
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -8.269
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: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -214.721081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.721081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.721081 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.515
local terms energy: -69.835244
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -99.323275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.323275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.323275 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -43.155
Base-Backbone interact. energy: -0.121
local terms energy: -56.048064
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -7.191
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -90.387734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.387734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.387734 (E_RNA)
where:
Base-Base interactions energy: -41.971
where: short stacking energy: -23.520
Base-Backbone interact. energy: -0.195
local terms energy: -48.220840
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -78.271881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.271881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.271881 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -32.533
Base-Backbone interact. energy: 1.036
local terms energy: -43.573109
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -265.937514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.937514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.937514 (E_RNA)
where:
Base-Base interactions energy: -187.590
where: short stacking energy: -76.433
Base-Backbone interact. energy: -0.648
local terms energy: -77.699311
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -265.007253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.007253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.007253 (E_RNA)
where:
Base-Base interactions energy: -197.597
where: short stacking energy: -74.246
Base-Backbone interact. energy: -0.358
local terms energy: -67.052513
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -230.319425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.319425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.319425 (E_RNA)
where:
Base-Base interactions energy: -160.700
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.198
local terms energy: -69.420907
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -255.101874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.101874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.101874 (E_RNA)
where:
Base-Base interactions energy: -175.848
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.004
local terms energy: -79.249947
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -18.059
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: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -212.608267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.608267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.608267 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.786
local terms energy: -61.546344
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -213.302768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.302768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.302768 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.319
local terms energy: -69.655485
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -11.567
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: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -165.184039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.184039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.184039 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -49.232
Base-Backbone interact. energy: -0.544
local terms energy: -68.076049
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -10.838
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -98.563790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.563790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.563790 (E_RNA)
where:
Base-Base interactions energy: -46.561
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.094
local terms energy: -51.909119
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -2.046
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -84.809336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.809336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.809336 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.111
local terms energy: -47.864482
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -86.819700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.819700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.819700 (E_RNA)
where:
Base-Base interactions energy: -36.177
where: short stacking energy: -21.724
Base-Backbone interact. energy: 0.306
local terms energy: -50.948080
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -262.786756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.786756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.786756 (E_RNA)
where:
Base-Base interactions energy: -185.001
where: short stacking energy: -73.617
Base-Backbone interact. energy: 0.436
local terms energy: -78.221467
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -260.822280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.822280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.822280 (E_RNA)
where:
Base-Base interactions energy: -181.805
where: short stacking energy: -79.279
Base-Backbone interact. energy: -1.955
local terms energy: -77.062980
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -260.592801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.592801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.592801 (E_RNA)
where:
Base-Base interactions energy: -177.924
where: short stacking energy: -73.574
Base-Backbone interact. energy: -0.003
local terms energy: -82.666092
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -225.928561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.928561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.928561 (E_RNA)
where:
Base-Base interactions energy: -153.739
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.683
local terms energy: -71.507099
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.243
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: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -223.281145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.281145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.281145 (E_RNA)
where:
Base-Base interactions energy: -155.716
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.760
local terms energy: -66.804824
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -195.949817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.949817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.949817 (E_RNA)
where:
Base-Base interactions energy: -133.510
where: short stacking energy: -48.465
Base-Backbone interact. energy: -0.298
local terms energy: -62.141587
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -165.098733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.098733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.098733 (E_RNA)
where:
Base-Base interactions energy: -102.147
where: short stacking energy: -49.519
Base-Backbone interact. energy: -0.954
local terms energy: -61.997678
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -10.327
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: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -101.576802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.576802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.576802 (E_RNA)
where:
Base-Base interactions energy: -48.271
where: short stacking energy: -36.603
Base-Backbone interact. energy: 1.893
local terms energy: -55.198721
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -87.039718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.039718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.039718 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.202
local terms energy: -49.134060
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -82.084672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.084672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.084672 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.201
local terms energy: -45.322825
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -2.427
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: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -268.139624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.139624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.139624 (E_RNA)
where:
Base-Base interactions energy: -184.940
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.271
local terms energy: -82.928627
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -22.566
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: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -263.752395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.752395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.752395 (E_RNA)
where:
Base-Base interactions energy: -177.721
where: short stacking energy: -72.172
Base-Backbone interact. energy: -0.718
local terms energy: -85.313548
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -22.778
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: 285
Temperature: 1.000000
Total energy: -261.796152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.796152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.796152 (E_RNA)
where:
Base-Base interactions energy: -174.516
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.605
local terms energy: -86.675478
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -22.926
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: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -230.156411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.156411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.156411 (E_RNA)
where:
Base-Base interactions energy: -161.036
where: short stacking energy: -66.989
Base-Backbone interact. energy: 0.610
local terms energy: -69.730564
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -18.813
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: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -221.017224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.017224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.017224 (E_RNA)
where:
Base-Base interactions energy: -150.406
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.269
local terms energy: -70.341922
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -14.788
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: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -226.294083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.294083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.294083 (E_RNA)
where:
Base-Base interactions energy: -160.964
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.128
local terms energy: -65.201816
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -14.653
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: 285
Temperature: 1.200000
Total energy: -157.307162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.307162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.307162 (E_RNA)
where:
Base-Base interactions energy: -99.517
where: short stacking energy: -48.198
Base-Backbone interact. energy: -0.130
local terms energy: -57.660416
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -12.776
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: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -97.022124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.022124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.022124 (E_RNA)
where:
Base-Base interactions energy: -48.322
where: short stacking energy: -21.590
Base-Backbone interact. energy: -0.126
local terms energy: -48.574620
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -5.284
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -93.774031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774031 (E_RNA)
where:
Base-Base interactions energy: -38.919
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.049
local terms energy: -54.805755
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -85.659198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659198 (E_RNA)
where:
Base-Base interactions energy: -38.262
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.077
local terms energy: -47.319696
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -269.244772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.244772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.244772 (E_RNA)
where:
Base-Base interactions energy: -187.860
where: short stacking energy: -80.057
Base-Backbone interact. energy: -0.917
local terms energy: -80.467241
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -22.068
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: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -265.334524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.334524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.334524 (E_RNA)
where:
Base-Base interactions energy: -189.941
where: short stacking energy: -78.369
Base-Backbone interact. energy: -1.369
local terms energy: -74.024390
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -265.033131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.033131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.033131 (E_RNA)
where:
Base-Base interactions energy: -186.316
where: short stacking energy: -81.000
Base-Backbone interact. energy: -0.887
local terms energy: -77.830743
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -234.029426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029426 (E_RNA)
where:
Base-Base interactions energy: -159.725
where: short stacking energy: -64.020
Base-Backbone interact. energy: 0.245
local terms energy: -74.549648
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -223.211467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.211467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.211467 (E_RNA)
where:
Base-Base interactions energy: -158.634
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.285
local terms energy: -64.291525
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -6.748
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: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -206.026445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.026445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.026445 (E_RNA)
where:
Base-Base interactions energy: -132.564
where: short stacking energy: -48.397
Base-Backbone interact. energy: -0.534
local terms energy: -72.928426
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -11.859
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -147.869593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.869593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.869593 (E_RNA)
where:
Base-Base interactions energy: -84.153
where: short stacking energy: -37.811
Base-Backbone interact. energy: -0.264
local terms energy: -63.451839
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -92.677261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677261 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.206
local terms energy: -57.012171
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -91.152045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.152045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.152045 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.200
local terms energy: -53.763260
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -5.801
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: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -83.166829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.166829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.166829 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.159
local terms energy: -50.342386
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -271.934325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.934325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.934325 (E_RNA)
where:
Base-Base interactions energy: -189.425
where: short stacking energy: -73.906
Base-Backbone interact. energy: -0.041
local terms energy: -82.468090
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -24.560
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -272.652128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.652128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.652128 (E_RNA)
where:
Base-Base interactions energy: -198.836
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.057
local terms energy: -73.759928
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -24.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -262.931217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.931217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.931217 (E_RNA)
where:
Base-Base interactions energy: -182.363
where: short stacking energy: -75.890
Base-Backbone interact. energy: -0.607
local terms energy: -79.961098
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -239.550481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.550481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.550481 (E_RNA)
where:
Base-Base interactions energy: -166.458
where: short stacking energy: -69.323
Base-Backbone interact. energy: -0.158
local terms energy: -72.934290
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -16.758
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: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -223.611140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.611140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.611140 (E_RNA)
where:
Base-Base interactions energy: -157.613
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.531
local terms energy: -65.466577
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -210.106701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.106701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.106701 (E_RNA)
where:
Base-Base interactions energy: -140.012
where: short stacking energy: -62.364
Base-Backbone interact. energy: 0.243
local terms energy: -70.337349
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -166.616821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.616821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.616821 (E_RNA)
where:
Base-Base interactions energy: -99.205
where: short stacking energy: -54.510
Base-Backbone interact. energy: -0.248
local terms energy: -67.164131
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -13.166
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: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -101.877332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.877332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.877332 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -24.619
Base-Backbone interact. energy: -0.580
local terms energy: -53.785500
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -3.384
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: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -82.189375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.189375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.189375 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -25.934
Base-Backbone interact. energy: -0.184
local terms energy: -51.449376
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -0.368
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: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -79.842312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842312 (E_RNA)
where:
Base-Base interactions energy: -40.198
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.031
local terms energy: -39.613702
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: 3.531
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: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -266.703807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.703807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.703807 (E_RNA)
where:
Base-Base interactions energy: -188.308
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.018
local terms energy: -78.377361
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -20.504
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -260.523023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.523023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.523023 (E_RNA)
where:
Base-Base interactions energy: -183.590
where: short stacking energy: -75.194
Base-Backbone interact. energy: -0.003
local terms energy: -76.929376
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -261.233650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.233650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.233650 (E_RNA)
where:
Base-Base interactions energy: -182.095
where: short stacking energy: -69.958
Base-Backbone interact. energy: 0.466
local terms energy: -79.604426
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -19.279
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: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -230.139184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.139184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.139184 (E_RNA)
where:
Base-Base interactions energy: -165.602
where: short stacking energy: -68.730
Base-Backbone interact. energy: 1.215
local terms energy: -65.752310
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -223.294636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.294636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.294636 (E_RNA)
where:
Base-Base interactions energy: -162.921
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.896
local terms energy: -59.477664
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -206.326269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.326269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.326269 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.401
local terms energy: -71.792094
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -9.963
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: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -161.977945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.977945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.977945 (E_RNA)
where:
Base-Base interactions energy: -100.518
where: short stacking energy: -51.792
Base-Backbone interact. energy: -0.321
local terms energy: -61.139026
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -11.839
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: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -135.697653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.697653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.697653 (E_RNA)
where:
Base-Base interactions energy: -84.040
where: short stacking energy: -45.780
Base-Backbone interact. energy: -0.201
local terms energy: -51.457252
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -113.311956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.311956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.311956 (E_RNA)
where:
Base-Base interactions energy: -66.455
where: short stacking energy: -32.624
Base-Backbone interact. energy: 1.135
local terms energy: -47.992381
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -96.079960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.079960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.079960 (E_RNA)
where:
Base-Base interactions energy: -40.794
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.135
local terms energy: -55.151091
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -259.683343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.683343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.683343 (E_RNA)
where:
Base-Base interactions energy: -188.755
where: short stacking energy: -79.680
Base-Backbone interact. energy: -0.014
local terms energy: -70.914338
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -264.651400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.651400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.651400 (E_RNA)
where:
Base-Base interactions energy: -189.272
where: short stacking energy: -76.718
Base-Backbone interact. energy: -0.041
local terms energy: -75.337835
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -260.949881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.949881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.949881 (E_RNA)
where:
Base-Base interactions energy: -179.374
where: short stacking energy: -80.039
Base-Backbone interact. energy: -0.287
local terms energy: -81.288922
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -214.714849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.714849 (E_RNA)
where:
Base-Base interactions energy: -150.829
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.087
local terms energy: -63.799246
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -228.583564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.583564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.583564 (E_RNA)
where:
Base-Base interactions energy: -157.931
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.110
local terms energy: -70.541960
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -13.828
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: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -203.864237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.864237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.864237 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -46.269
Base-Backbone interact. energy: -1.941
local terms energy: -64.481627
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -7.859
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: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -167.977032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.977032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.977032 (E_RNA)
where:
Base-Base interactions energy: -100.487
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.058
local terms energy: -67.431279
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -128.356857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.356857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.356857 (E_RNA)
where:
Base-Base interactions energy: -69.885
where: short stacking energy: -27.538
Base-Backbone interact. energy: -0.211
local terms energy: -58.260691
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -87.710392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710392 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.065
local terms energy: -48.942271
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -4.625
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: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -75.840576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.840576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.840576 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -21.097
Base-Backbone interact. energy: -0.547
local terms energy: -48.066208
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -7.342
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: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -267.825308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.825308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.825308 (E_RNA)
where:
Base-Base interactions energy: -193.617
where: short stacking energy: -78.417
Base-Backbone interact. energy: -0.018
local terms energy: -74.190306
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -265.530963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.530963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.530963 (E_RNA)
where:
Base-Base interactions energy: -195.497
where: short stacking energy: -71.219
Base-Backbone interact. energy: -0.279
local terms energy: -69.755131
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -19.106
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: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -260.298292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.298292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.298292 (E_RNA)
where:
Base-Base interactions energy: -181.287
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.036
local terms energy: -78.975383
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.657
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: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -213.674760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.674760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.674760 (E_RNA)
where:
Base-Base interactions energy: -143.245
where: short stacking energy: -41.520
Base-Backbone interact. energy: -0.513
local terms energy: -69.916930
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -213.671838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.671838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.671838 (E_RNA)
where:
Base-Base interactions energy: -154.090
where: short stacking energy: -66.665
Base-Backbone interact. energy: 1.437
local terms energy: -61.019288
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -201.399723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.399723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.399723 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.016
local terms energy: -65.566460
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -178.946476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.946476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.946476 (E_RNA)
where:
Base-Base interactions energy: -111.615
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.507
local terms energy: -66.824221
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -165.874515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.874515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.874515 (E_RNA)
where:
Base-Base interactions energy: -97.562
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.701
local terms energy: -67.611301
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -13.388
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: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -81.231032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.231032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.231032 (E_RNA)
where:
Base-Base interactions energy: -34.897
where: short stacking energy: -34.897
Base-Backbone interact. energy: -0.705
local terms energy: -45.629525
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -1.418
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: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -90.991563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.991563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.991563 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.120
local terms energy: -53.793582
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -269.745806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.745806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.745806 (E_RNA)
where:
Base-Base interactions energy: -184.931
where: short stacking energy: -77.136
Base-Backbone interact. energy: -0.002
local terms energy: -84.813052
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -261.605102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.605102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.605102 (E_RNA)
where:
Base-Base interactions energy: -186.508
where: short stacking energy: -75.539
Base-Backbone interact. energy: -0.767
local terms energy: -74.330681
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -17.587
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: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -257.327760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.327760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.327760 (E_RNA)
where:
Base-Base interactions energy: -175.876
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.007
local terms energy: -81.444738
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -20.360
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: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -226.105724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.105724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.105724 (E_RNA)
where:
Base-Base interactions energy: -155.294
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.447
local terms energy: -70.365033
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -210.502623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.502623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.502623 (E_RNA)
where:
Base-Base interactions energy: -147.376
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.481
local terms energy: -62.645463
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -13.207
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: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -189.033797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.033797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.033797 (E_RNA)
where:
Base-Base interactions energy: -127.407
where: short stacking energy: -50.186
Base-Backbone interact. energy: -0.724
local terms energy: -60.902643
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -203.434514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.434514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.434514 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -54.174
Base-Backbone interact. energy: 0.234
local terms energy: -60.448116
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -154.422784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.422784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.422784 (E_RNA)
where:
Base-Base interactions energy: -94.627
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.018
local terms energy: -59.777868
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -85.449257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.449257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.449257 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -32.052
Base-Backbone interact. energy: -0.210
local terms energy: -48.597421
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -7.176
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -82.931604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.931604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.931604 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -33.817
Base-Backbone interact. energy: -0.076
local terms energy: -48.996584
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -4.142
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -261.662062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.662062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.662062 (E_RNA)
where:
Base-Base interactions energy: -177.150
where: short stacking energy: -76.538
Base-Backbone interact. energy: -0.202
local terms energy: -84.309944
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -21.891
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: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -262.838629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.838629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.838629 (E_RNA)
where:
Base-Base interactions energy: -186.814
where: short stacking energy: -72.673
Base-Backbone interact. energy: -0.657
local terms energy: -75.367847
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -262.848622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.848622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.848622 (E_RNA)
where:
Base-Base interactions energy: -182.613
where: short stacking energy: -68.990
Base-Backbone interact. energy: -0.294
local terms energy: -79.941945
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -215.706379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706379 (E_RNA)
where:
Base-Base interactions energy: -152.182
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.254
local terms energy: -63.270088
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -226.390347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.390347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.390347 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.467
local terms energy: -66.020866
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -13.384
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: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -160.986224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.986224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.986224 (E_RNA)
where:
Base-Base interactions energy: -99.963
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.009
local terms energy: -61.014304
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -195.540970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.540970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.540970 (E_RNA)
where:
Base-Base interactions energy: -122.430
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.187
local terms energy: -72.923928
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -107.014638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.014638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.014638 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -44.711
Base-Backbone interact. energy: -0.094
local terms energy: -62.208925
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -6.661
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: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -81.602569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.602569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.602569 (E_RNA)
where:
Base-Base interactions energy: -26.571
where: short stacking energy: -26.571
Base-Backbone interact. energy: -0.483
local terms energy: -54.547787
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -83.132096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.132096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.132096 (E_RNA)
where:
Base-Base interactions energy: -31.091
where: short stacking energy: -21.920
Base-Backbone interact. energy: -0.012
local terms energy: -52.029137
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -267.589575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.589575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.589575 (E_RNA)
where:
Base-Base interactions energy: -187.724
where: short stacking energy: -77.540
Base-Backbone interact. energy: -1.423
local terms energy: -78.442436
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -265.517551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.517551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.517551 (E_RNA)
where:
Base-Base interactions energy: -190.543
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.373
local terms energy: -74.601855
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -258.266627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.266627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.266627 (E_RNA)
where:
Base-Base interactions energy: -181.370
where: short stacking energy: -66.574
Base-Backbone interact. energy: -0.251
local terms energy: -76.645586
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -223.568148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.568148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.568148 (E_RNA)
where:
Base-Base interactions energy: -149.243
where: short stacking energy: -59.713
Base-Backbone interact. energy: -0.760
local terms energy: -73.564677
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -12.611
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: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -208.772252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.772252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.772252 (E_RNA)
where:
Base-Base interactions energy: -141.675
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.116
local terms energy: -66.981152
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -208.220615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.220615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.220615 (E_RNA)
where:
Base-Base interactions energy: -142.483
where: short stacking energy: -51.471
Base-Backbone interact. energy: -1.349
local terms energy: -64.388987
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -158.922717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.922717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.922717 (E_RNA)
where:
Base-Base interactions energy: -99.610
where: short stacking energy: -53.993
Base-Backbone interact. energy: -0.062
local terms energy: -59.250773
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -107.994446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.994446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.994446 (E_RNA)
where:
Base-Base interactions energy: -49.529
where: short stacking energy: -41.479
Base-Backbone interact. energy: -0.796
local terms energy: -57.669739
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -93.454281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.454281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.454281 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -31.369
Base-Backbone interact. energy: -1.156
local terms energy: -59.270386
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -77.205028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.205028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.205028 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.996
local terms energy: -44.201319
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -270.174858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.174858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.174858 (E_RNA)
where:
Base-Base interactions energy: -184.653
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.172
local terms energy: -85.349205
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -266.876494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.876494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.876494 (E_RNA)
where:
Base-Base interactions energy: -193.518
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.003
local terms energy: -73.354800
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -256.621484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.621484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.621484 (E_RNA)
where:
Base-Base interactions energy: -177.620
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.091
local terms energy: -78.909911
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -18.577
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: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -223.505774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.505774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.505774 (E_RNA)
where:
Base-Base interactions energy: -160.684
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.400
local terms energy: -62.421899
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -209.962495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.962495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.962495 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -50.439
Base-Backbone interact. energy: -1.314
local terms energy: -68.261549
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -213.008763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.008763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.008763 (E_RNA)
where:
Base-Base interactions energy: -142.976
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.366
local terms energy: -69.666275
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -14.631
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: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -165.812944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.812944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.812944 (E_RNA)
where:
Base-Base interactions energy: -96.553
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.065
local terms energy: -69.194427
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -105.351677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.351677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.351677 (E_RNA)
where:
Base-Base interactions energy: -58.598
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.220
local terms energy: -46.533614
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: 2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -86.328748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.328748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.328748 (E_RNA)
where:
Base-Base interactions energy: -44.406
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.226
local terms energy: -41.696440
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -110.775183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.775183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.775183 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -45.590
Base-Backbone interact. energy: -0.183
local terms energy: -65.001865
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -267.655682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.655682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.655682 (E_RNA)
where:
Base-Base interactions energy: -187.389
where: short stacking energy: -79.183
Base-Backbone interact. energy: -0.002
local terms energy: -80.264501
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -22.386
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: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -262.694926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.694926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.694926 (E_RNA)
where:
Base-Base interactions energy: -197.567
where: short stacking energy: -80.105
Base-Backbone interact. energy: -0.064
local terms energy: -65.064612
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -0.206
tors. eta vs tors. theta energy: -21.154
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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -255.723410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.723410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.723410 (E_RNA)
where:
Base-Base interactions energy: -179.402
where: short stacking energy: -70.861
Base-Backbone interact. energy: -1.987
local terms energy: -74.334706
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -220.029536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.029536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.029536 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.230
local terms energy: -77.784810
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -220.723081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.723081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.723081 (E_RNA)
where:
Base-Base interactions energy: -157.878
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.357
local terms energy: -62.487859
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -198.585638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.585638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.585638 (E_RNA)
where:
Base-Base interactions energy: -131.749
where: short stacking energy: -52.861
Base-Backbone interact. energy: 0.044
local terms energy: -66.880552
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -161.810968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.810968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.810968 (E_RNA)
where:
Base-Base interactions energy: -103.149
where: short stacking energy: -53.819
Base-Backbone interact. energy: -0.099
local terms energy: -58.562401
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -95.985652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.985652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.985652 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.116
local terms energy: -50.808798
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -105.809830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.809830 (E_RNA)
where:
Base-Base interactions energy: -57.393
where: short stacking energy: -33.147
Base-Backbone interact. energy: -0.145
local terms energy: -48.272457
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -76.872983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.872983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.872983 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -22.453
Base-Backbone interact. energy: 1.783
local terms energy: -50.622211
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -266.956242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.956242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.956242 (E_RNA)
where:
Base-Base interactions energy: -184.833
where: short stacking energy: -74.576
Base-Backbone interact. energy: -1.748
local terms energy: -80.375437
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -270.276738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.276738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.276738 (E_RNA)
where:
Base-Base interactions energy: -181.671
where: short stacking energy: -76.048
Base-Backbone interact. energy: -1.056
local terms energy: -87.549509
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -23.447
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: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -257.028788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.028788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.028788 (E_RNA)
where:
Base-Base interactions energy: -181.944
where: short stacking energy: -74.762
Base-Backbone interact. energy: -1.430
local terms energy: -73.655263
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -222.051086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.051086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.051086 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -67.330
Base-Backbone interact. energy: 0.970
local terms energy: -74.976482
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -16.160
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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -210.844745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.844745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.844745 (E_RNA)
where:
Base-Base interactions energy: -149.637
where: short stacking energy: -59.293
Base-Backbone interact. energy: -0.470
local terms energy: -60.737262
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.169
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -215.355609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.355609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.355609 (E_RNA)
where:
Base-Base interactions energy: -148.700
where: short stacking energy: -51.022
Base-Backbone interact. energy: -0.423
local terms energy: -66.232637
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -159.247280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.247280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.247280 (E_RNA)
where:
Base-Base interactions energy: -97.536
where: short stacking energy: -55.465
Base-Backbone interact. energy: -0.237
local terms energy: -61.474780
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -10.868
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: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -82.026257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.026257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.026257 (E_RNA)
where:
Base-Base interactions energy: -36.621
where: short stacking energy: -29.328
Base-Backbone interact. energy: -0.406
local terms energy: -44.998501
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -8.303
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: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -88.090809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.090809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.090809 (E_RNA)
where:
Base-Base interactions energy: -36.432
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.292
local terms energy: -51.367344
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -1.515
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: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -89.022325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022325 (E_RNA)
where:
Base-Base interactions energy: -37.132
where: short stacking energy: -37.132
Base-Backbone interact. energy: -0.110
local terms energy: -51.780699
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -266.703605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.703605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.703605 (E_RNA)
where:
Base-Base interactions energy: -181.029
where: short stacking energy: -78.661
Base-Backbone interact. energy: -1.478
local terms energy: -84.197045
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -260.733059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.733059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.733059 (E_RNA)
where:
Base-Base interactions energy: -183.231
where: short stacking energy: -67.094
Base-Backbone interact. energy: -0.219
local terms energy: -77.283346
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -16.283
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -261.108030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.108030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.108030 (E_RNA)
where:
Base-Base interactions energy: -183.893
where: short stacking energy: -81.884
Base-Backbone interact. energy: -0.112
local terms energy: -77.103429
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -223.290767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290767 (E_RNA)
where:
Base-Base interactions energy: -151.505
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.250
local terms energy: -71.536068
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -206.224251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224251 (E_RNA)
where:
Base-Base interactions energy: -140.770
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.503
local terms energy: -64.951183
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -198.013640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.013640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.013640 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -51.494
Base-Backbone interact. energy: -1.286
local terms energy: -61.119919
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -5.663
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: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -155.991524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.991524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.991524 (E_RNA)
where:
Base-Base interactions energy: -104.966
where: short stacking energy: -43.661
Base-Backbone interact. energy: -0.360
local terms energy: -50.665839
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -6.887
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: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -103.021729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.021729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.021729 (E_RNA)
where:
Base-Base interactions energy: -43.298
where: short stacking energy: -39.330
Base-Backbone interact. energy: -0.026
local terms energy: -59.697732
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -5.652
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: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -116.728499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.728499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.728499 (E_RNA)
where:
Base-Base interactions energy: -66.858
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.879
local terms energy: -48.990585
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -92.779454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.779454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.779454 (E_RNA)
where:
Base-Base interactions energy: -45.280
where: short stacking energy: -27.185
Base-Backbone interact. energy: -0.301
local terms energy: -47.198680
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -263.303319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.303319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.303319 (E_RNA)
where:
Base-Base interactions energy: -192.135
where: short stacking energy: -75.924
Base-Backbone interact. energy: -0.197
local terms energy: -70.971048
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -18.623
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: 298
Temperature: 0.950000
Total energy: -268.848892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.848892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.848892 (E_RNA)
where:
Base-Base interactions energy: -190.187
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.295
local terms energy: -78.366621
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -226.103452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.103452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.103452 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -71.038
Base-Backbone interact. energy: -0.235
local terms energy: -68.132054
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -252.750331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.750331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.750331 (E_RNA)
where:
Base-Base interactions energy: -173.440
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.240
local terms energy: -79.070572
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -238.157024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.157024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.157024 (E_RNA)
where:
Base-Base interactions energy: -164.153
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.136
local terms energy: -73.867661
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -207.909544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.909544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.909544 (E_RNA)
where:
Base-Base interactions energy: -145.954
where: short stacking energy: -54.056
Base-Backbone interact. energy: -0.304
local terms energy: -61.651575
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -152.475679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.475679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.475679 (E_RNA)
where:
Base-Base interactions energy: -100.695
where: short stacking energy: -44.452
Base-Backbone interact. energy: 1.369
local terms energy: -53.149567
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -92.151184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.151184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.151184 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.115
local terms energy: -56.375837
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -81.984680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.984680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.984680 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.240
local terms energy: -47.222798
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -148.215874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.215874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.215874 (E_RNA)
where:
Base-Base interactions energy: -95.343
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.073
local terms energy: -52.799632
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -267.348142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.348142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.348142 (E_RNA)
where:
Base-Base interactions energy: -192.799
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.455
local terms energy: -74.093605
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -18.323
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: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -273.422597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.422597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.422597 (E_RNA)
where:
Base-Base interactions energy: -198.714
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.044
local terms energy: -74.664963
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -239.579350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.579350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.579350 (E_RNA)
where:
Base-Base interactions energy: -167.817
where: short stacking energy: -69.399
Base-Backbone interact. energy: -0.157
local terms energy: -71.605007
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -16.619
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: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -256.736218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.736218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.736218 (E_RNA)
where:
Base-Base interactions energy: -177.901
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.107
local terms energy: -78.728545
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -237.512042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.512042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.512042 (E_RNA)
where:
Base-Base interactions energy: -166.976
where: short stacking energy: -69.398
Base-Backbone interact. energy: 1.153
local terms energy: -71.688772
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -15.510
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: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -216.100126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.100126 (E_RNA)
where:
Base-Base interactions energy: -146.506
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.905
local terms energy: -68.689518
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -158.392798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.392798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.392798 (E_RNA)
where:
Base-Base interactions energy: -103.320
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.133
local terms energy: -54.939618
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -9.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -90.208770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.208770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.208770 (E_RNA)
where:
Base-Base interactions energy: -29.271
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.282
local terms energy: -60.655698
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -93.795677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795677 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.591
local terms energy: -51.572413
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -136.454829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.454829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.454829 (E_RNA)
where:
Base-Base interactions energy: -85.782
where: short stacking energy: -43.016
Base-Backbone interact. energy: -0.335
local terms energy: -50.338424
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -5.758
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: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -277.447013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.447013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.447013 (E_RNA)
where:
Base-Base interactions energy: -204.367
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.597
local terms energy: -72.483177
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -258.834251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.834251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.834251 (E_RNA)
where:
Base-Base interactions energy: -179.981
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.539
local terms energy: -78.314485
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -262.126453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.126453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.126453 (E_RNA)
where:
Base-Base interactions energy: -188.860
where: short stacking energy: -75.012
Base-Backbone interact. energy: -0.070
local terms energy: -73.195939
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -231.419337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.419337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.419337 (E_RNA)
where:
Base-Base interactions energy: -161.579
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.241
local terms energy: -69.598787
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -15.171
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: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -221.721934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.721934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.721934 (E_RNA)
where:
Base-Base interactions energy: -152.439
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.215
local terms energy: -69.067448
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -206.636844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.636844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.636844 (E_RNA)
where:
Base-Base interactions energy: -152.298
where: short stacking energy: -65.242
Base-Backbone interact. energy: -0.109
local terms energy: -54.229991
where:
bonds (distance) C4'-P energy: -3.940
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.724
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: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -175.721401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.721401 (E_RNA)
where:
Base-Base interactions energy: -112.016
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.545
local terms energy: -63.160637
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -98.636738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.636738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.636738 (E_RNA)
where:
Base-Base interactions energy: -53.436
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.919
local terms energy: -44.281533
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -111.891405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.891405 (E_RNA)
where:
Base-Base interactions energy: -52.593
where: short stacking energy: -34.371
Base-Backbone interact. energy: 0.214
local terms energy: -59.512454
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -5.130
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: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -80.243973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243973 (E_RNA)
where:
Base-Base interactions energy: -33.891
where: short stacking energy: -33.891
Base-Backbone interact. energy: 1.720
local terms energy: -48.073688
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -274.391149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.391149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.391149 (E_RNA)
where:
Base-Base interactions energy: -198.548
where: short stacking energy: -76.086
Base-Backbone interact. energy: -0.329
local terms energy: -75.514460
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -261.587557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.587557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.587557 (E_RNA)
where:
Base-Base interactions energy: -181.227
where: short stacking energy: -73.867
Base-Backbone interact. energy: -1.405
local terms energy: -78.956154
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -17.237
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: 301
Temperature: 1.000000
Total energy: -257.129344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.129344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.129344 (E_RNA)
where:
Base-Base interactions energy: -172.561
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.867
local terms energy: -83.701124
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -21.613
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: 301
Temperature: 1.050000
Total energy: -233.010412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.010412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.010412 (E_RNA)
where:
Base-Base interactions energy: -154.052
where: short stacking energy: -63.822
Base-Backbone interact. energy: -1.787
local terms energy: -77.171606
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -225.133736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.133736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.133736 (E_RNA)
where:
Base-Base interactions energy: -154.591
where: short stacking energy: -59.713
Base-Backbone interact. energy: 0.328
local terms energy: -70.870298
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -13.718
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: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -208.464405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.464405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.464405 (E_RNA)
where:
Base-Base interactions energy: -148.294
where: short stacking energy: -56.404
Base-Backbone interact. energy: -0.173
local terms energy: -59.998123
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -165.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.198495 (E_RNA)
where:
Base-Base interactions energy: -106.559
where: short stacking energy: -49.000
Base-Backbone interact. energy: -0.377
local terms energy: -58.262575
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -12.945
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: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -103.652961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.652961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.652961 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.044
local terms energy: -58.620492
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -8.849
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: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -99.419910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.419910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.419910 (E_RNA)
where:
Base-Base interactions energy: -48.817
where: short stacking energy: -26.846
Base-Backbone interact. energy: 0.390
local terms energy: -50.993324
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -4.966
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -75.252444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.252444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.252444 (E_RNA)
where:
Base-Base interactions energy: -30.419
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.345
local terms energy: -44.488634
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -6.220
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: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -267.929196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.929196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.929196 (E_RNA)
where:
Base-Base interactions energy: -198.405
where: short stacking energy: -73.176
Base-Backbone interact. energy: -0.232
local terms energy: -69.292647
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -263.142138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.142138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.142138 (E_RNA)
where:
Base-Base interactions energy: -193.834
where: short stacking energy: -75.090
Base-Backbone interact. energy: -0.023
local terms energy: -69.285576
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -19.506
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: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -261.046198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.046198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.046198 (E_RNA)
where:
Base-Base interactions energy: -177.434
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.792
local terms energy: -82.820720
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -232.488443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.488443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.488443 (E_RNA)
where:
Base-Base interactions energy: -156.153
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.204
local terms energy: -76.130942
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -18.422
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: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -225.442168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.442168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.442168 (E_RNA)
where:
Base-Base interactions energy: -152.913
where: short stacking energy: -59.350
Base-Backbone interact. energy: -1.400
local terms energy: -71.129120
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -225.704069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.704069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.704069 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -60.996
Base-Backbone interact. energy: 0.558
local terms energy: -74.205698
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -167.319387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.319387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.319387 (E_RNA)
where:
Base-Base interactions energy: -100.422
where: short stacking energy: -55.546
Base-Backbone interact. energy: -0.020
local terms energy: -66.876966
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -121.170573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.170573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.170573 (E_RNA)
where:
Base-Base interactions energy: -74.361
where: short stacking energy: -37.139
Base-Backbone interact. energy: -0.100
local terms energy: -46.709077
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -92.067173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.067173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.067173 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.484
local terms energy: -56.604190
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -6.104
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: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -101.964538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964538 (E_RNA)
where:
Base-Base interactions energy: -53.028
where: short stacking energy: -38.325
Base-Backbone interact. energy: -0.087
local terms energy: -48.850007
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -281.525134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.525134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.525134 (E_RNA)
where:
Base-Base interactions energy: -201.536
where: short stacking energy: -81.447
Base-Backbone interact. energy: -0.545
local terms energy: -79.443832
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -21.193
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: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -267.396416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.396416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.396416 (E_RNA)
where:
Base-Base interactions energy: -178.086
where: short stacking energy: -69.054
Base-Backbone interact. energy: -2.054
local terms energy: -87.256215
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -23.681
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: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -257.329816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.329816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.329816 (E_RNA)
where:
Base-Base interactions energy: -183.948
where: short stacking energy: -73.795
Base-Backbone interact. energy: -1.734
local terms energy: -71.647262
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -18.245
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: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -220.356279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.356279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.356279 (E_RNA)
where:
Base-Base interactions energy: -146.853
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.489
local terms energy: -73.015104
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -215.188412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.188412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.188412 (E_RNA)
where:
Base-Base interactions energy: -152.603
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.130
local terms energy: -62.455159
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -201.359102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.359102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.359102 (E_RNA)
where:
Base-Base interactions energy: -133.300
where: short stacking energy: -45.714
Base-Backbone interact. energy: -0.328
local terms energy: -67.731487
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -171.625417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.625417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.625417 (E_RNA)
where:
Base-Base interactions energy: -107.973
where: short stacking energy: -54.103
Base-Backbone interact. energy: 0.588
local terms energy: -64.240665
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -98.120121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.120121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.120121 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -27.001
Base-Backbone interact. energy: -0.069
local terms energy: -57.212003
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -89.882864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.882864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.882864 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -36.097
Base-Backbone interact. energy: -0.048
local terms energy: -53.737189
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -97.190317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.190317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.190317 (E_RNA)
where:
Base-Base interactions energy: -50.656
where: short stacking energy: -28.021
Base-Backbone interact. energy: -0.973
local terms energy: -45.561533
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -280.383715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.383715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.383715 (E_RNA)
where:
Base-Base interactions energy: -198.421
where: short stacking energy: -78.779
Base-Backbone interact. energy: -0.656
local terms energy: -81.307007
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -22.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -268.180326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.180326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.180326 (E_RNA)
where:
Base-Base interactions energy: -184.902
where: short stacking energy: -76.230
Base-Backbone interact. energy: -1.255
local terms energy: -82.023982
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -20.601
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: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -258.190705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.190705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.190705 (E_RNA)
where:
Base-Base interactions energy: -177.619
where: short stacking energy: -73.642
Base-Backbone interact. energy: -1.114
local terms energy: -79.458291
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -218.978434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.978434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.978434 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.624
local terms energy: -77.183499
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -14.084
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: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -228.235007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.235007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.235007 (E_RNA)
where:
Base-Base interactions energy: -150.211
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.807
local terms energy: -77.216496
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -15.182
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: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -219.470139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.470139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.470139 (E_RNA)
where:
Base-Base interactions energy: -158.337
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.557
local terms energy: -60.576008
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -176.111769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.111769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.111769 (E_RNA)
where:
Base-Base interactions energy: -105.422
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.655
local terms energy: -70.034401
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -96.400349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.400349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.400349 (E_RNA)
where:
Base-Base interactions energy: -44.916
where: short stacking energy: -26.052
Base-Backbone interact. energy: -0.129
local terms energy: -51.354617
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: 0.392
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: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -88.288440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.288440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.288440 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -15.902
Base-Backbone interact. energy: -0.508
local terms energy: -45.618789
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: 3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -81.196630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.196630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.196630 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.737
local terms energy: -51.663391
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -2.460
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: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -274.752853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.752853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.752853 (E_RNA)
where:
Base-Base interactions energy: -199.771
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.335
local terms energy: -74.646131
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -20.342
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: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -262.284183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.284183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.284183 (E_RNA)
where:
Base-Base interactions energy: -180.847
where: short stacking energy: -75.244
Base-Backbone interact. energy: -0.164
local terms energy: -81.273381
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -25.363
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: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -252.764418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.764418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.764418 (E_RNA)
where:
Base-Base interactions energy: -177.786
where: short stacking energy: -71.397
Base-Backbone interact. energy: -1.380
local terms energy: -73.598056
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -230.117726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.117726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.117726 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.181
local terms energy: -74.570949
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -12.823
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: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -215.247564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.247564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.247564 (E_RNA)
where:
Base-Base interactions energy: -146.640
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.741
local terms energy: -67.866730
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -224.370081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.370081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.370081 (E_RNA)
where:
Base-Base interactions energy: -156.712
where: short stacking energy: -59.887
Base-Backbone interact. energy: -1.357
local terms energy: -66.300544
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -167.900473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.900473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.900473 (E_RNA)
where:
Base-Base interactions energy: -97.083
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.543
local terms energy: -70.274528
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -13.618
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: 305
Temperature: 1.250000
Total energy: -97.867623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867623 (E_RNA)
where:
Base-Base interactions energy: -51.130
where: short stacking energy: -16.345
Base-Backbone interact. energy: -0.190
local terms energy: -46.547741
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -88.012600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.012600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.012600 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -37.841
Base-Backbone interact. energy: -0.012
local terms energy: -48.266239
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.107
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: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -89.492543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.492543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.492543 (E_RNA)
where:
Base-Base interactions energy: -39.964
where: short stacking energy: -39.631
Base-Backbone interact. energy: -0.603
local terms energy: -48.926191
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -279.349863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.349863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.349863 (E_RNA)
where:
Base-Base interactions energy: -198.754
where: short stacking energy: -80.805
Base-Backbone interact. energy: -0.047
local terms energy: -80.549120
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -274.554780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.554780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.554780 (E_RNA)
where:
Base-Base interactions energy: -201.095
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.012
local terms energy: -73.448152
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -243.392312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.392312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.392312 (E_RNA)
where:
Base-Base interactions energy: -166.755
where: short stacking energy: -72.822
Base-Backbone interact. energy: -0.276
local terms energy: -76.361472
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -251.236054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.236054 (E_RNA)
where:
Base-Base interactions energy: -180.491
where: short stacking energy: -75.345
Base-Backbone interact. energy: -1.345
local terms energy: -69.399726
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -224.396614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.396614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.396614 (E_RNA)
where:
Base-Base interactions energy: -154.562
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.683
local terms energy: -69.151416
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -199.264067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.264067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.264067 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.220
local terms energy: -65.682720
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -171.771217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.771217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.771217 (E_RNA)
where:
Base-Base interactions energy: -112.000
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.094
local terms energy: -59.677144
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -95.647316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.647316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.647316 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -27.854
Base-Backbone interact. energy: -0.084
local terms energy: -62.049372
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -88.503393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503393 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.068
local terms energy: -54.695676
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.623
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -78.987513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.987513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.987513 (E_RNA)
where:
Base-Base interactions energy: -24.887
where: short stacking energy: -24.887
Base-Backbone interact. energy: -0.145
local terms energy: -53.955315
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.199
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: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -264.491933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.491933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.491933 (E_RNA)
where:
Base-Base interactions energy: -185.178
where: short stacking energy: -74.233
Base-Backbone interact. energy: -0.620
local terms energy: -78.694369
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -263.997230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.997230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.997230 (E_RNA)
where:
Base-Base interactions energy: -181.243
where: short stacking energy: -78.069
Base-Backbone interact. energy: -0.514
local terms energy: -82.240187
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -238.722848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.722848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.722848 (E_RNA)
where:
Base-Base interactions energy: -166.723
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.816
local terms energy: -71.183660
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -254.888849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.888849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.888849 (E_RNA)
where:
Base-Base interactions energy: -182.221
where: short stacking energy: -73.597
Base-Backbone interact. energy: -0.528
local terms energy: -72.139374
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -217.689226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.689226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.689226 (E_RNA)
where:
Base-Base interactions energy: -139.619
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.387
local terms energy: -77.683087
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -200.418423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.418423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.418423 (E_RNA)
where:
Base-Base interactions energy: -141.923
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.680
local terms energy: -57.815576
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -9.274
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: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -166.322472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.322472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.322472 (E_RNA)
where:
Base-Base interactions energy: -99.854
where: short stacking energy: -48.523
Base-Backbone interact. energy: 0.013
local terms energy: -66.481311
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -97.943555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.943555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.943555 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -39.602
Base-Backbone interact. energy: -0.047
local terms energy: -58.294902
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -95.980962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980962 (E_RNA)
where:
Base-Base interactions energy: -49.283
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.245
local terms energy: -46.452249
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 3.020
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: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -78.376829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376829 (E_RNA)
where:
Base-Base interactions energy: -30.534
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.017
local terms energy: -47.826045
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -6.185
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -270.545972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.545972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.545972 (E_RNA)
where:
Base-Base interactions energy: -182.280
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.924
local terms energy: -87.342868
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -22.230
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -271.836356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.836356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.836356 (E_RNA)
where:
Base-Base interactions energy: -190.729
where: short stacking energy: -77.501
Base-Backbone interact. energy: -2.557
local terms energy: -78.550678
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -234.322541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.322541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.322541 (E_RNA)
where:
Base-Base interactions energy: -158.909
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.341
local terms energy: -75.073351
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -255.400385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.400385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.400385 (E_RNA)
where:
Base-Base interactions energy: -176.032
where: short stacking energy: -74.700
Base-Backbone interact. energy: -0.837
local terms energy: -78.530728
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -20.319
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: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -215.159022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.159022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.159022 (E_RNA)
where:
Base-Base interactions energy: -144.723
where: short stacking energy: -53.323
Base-Backbone interact. energy: -0.148
local terms energy: -70.287957
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -206.754971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.754971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.754971 (E_RNA)
where:
Base-Base interactions energy: -143.571
where: short stacking energy: -52.878
Base-Backbone interact. energy: -0.490
local terms energy: -62.694062
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -101.280882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.280882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.280882 (E_RNA)
where:
Base-Base interactions energy: -44.606
where: short stacking energy: -34.373
Base-Backbone interact. energy: 1.185
local terms energy: -57.859056
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -7.867
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: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -161.305374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.305374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.305374 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -48.617
Base-Backbone interact. energy: -0.034
local terms energy: -58.886840
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -87.440503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.440503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.440503 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -20.296
Base-Backbone interact. energy: 2.094
local terms energy: -59.655742
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -12.371
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)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -100.655149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.655149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.655149 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.028
local terms energy: -57.676656
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -263.948349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.948349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.948349 (E_RNA)
where:
Base-Base interactions energy: -186.094
where: short stacking energy: -78.089
Base-Backbone interact. energy: -1.576
local terms energy: -76.278495
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -236.640586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.640586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.640586 (E_RNA)
where:
Base-Base interactions energy: -164.105
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.239
local terms energy: -72.295902
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -21.325
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -265.812131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.812131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.812131 (E_RNA)
where:
Base-Base interactions energy: -197.221
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.168
local terms energy: -68.423152
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -248.291900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.291900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.291900 (E_RNA)
where:
Base-Base interactions energy: -167.995
where: short stacking energy: -71.988
Base-Backbone interact. energy: -1.379
local terms energy: -78.917117
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -215.335581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335581 (E_RNA)
where:
Base-Base interactions energy: -149.744
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.681
local terms energy: -64.911074
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -207.665590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.665590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.665590 (E_RNA)
where:
Base-Base interactions energy: -145.284
where: short stacking energy: -59.868
Base-Backbone interact. energy: -0.078
local terms energy: -62.304334
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -15.324
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: 309
Temperature: 1.200000
Total energy: -134.077642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.077642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.077642 (E_RNA)
where:
Base-Base interactions energy: -75.503
where: short stacking energy: -37.217
Base-Backbone interact. energy: -1.958
local terms energy: -56.616855
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -101.622646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.622646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.622646 (E_RNA)
where:
Base-Base interactions energy: -41.510
where: short stacking energy: -41.510
Base-Backbone interact. energy: -1.070
local terms energy: -59.042270
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -155.718192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.718192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.718192 (E_RNA)
where:
Base-Base interactions energy: -101.618
where: short stacking energy: -46.208
Base-Backbone interact. energy: 1.631
local terms energy: -55.730761
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -6.759
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: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -91.965224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.965224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.965224 (E_RNA)
where:
Base-Base interactions energy: -44.936
where: short stacking energy: -39.944
Base-Backbone interact. energy: -0.266
local terms energy: -46.762882
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -249.215253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.215253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.215253 (E_RNA)
where:
Base-Base interactions energy: -173.145
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.797
local terms energy: -75.273493
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.931
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: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -261.632492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.632492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.632492 (E_RNA)
where:
Base-Base interactions energy: -181.657
where: short stacking energy: -76.285
Base-Backbone interact. energy: 0.762
local terms energy: -80.738092
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -256.712962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.712962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.712962 (E_RNA)
where:
Base-Base interactions energy: -183.855
where: short stacking energy: -76.148
Base-Backbone interact. energy: -2.186
local terms energy: -70.671830
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -257.626550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.626550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.626550 (E_RNA)
where:
Base-Base interactions energy: -183.664
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.045
local terms energy: -73.917349
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -219.280355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.280355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.280355 (E_RNA)
where:
Base-Base interactions energy: -152.758
where: short stacking energy: -60.777
Base-Backbone interact. energy: 0.027
local terms energy: -66.549180
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -210.437967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.437967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.437967 (E_RNA)
where:
Base-Base interactions energy: -145.766
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.721
local terms energy: -63.951222
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -157.397649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.397649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.397649 (E_RNA)
where:
Base-Base interactions energy: -101.278
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.781
local terms energy: -55.338150
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -5.031
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -91.122500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.122500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.122500 (E_RNA)
where:
Base-Base interactions energy: -46.616
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.193
local terms energy: -44.313365
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -2.055
tors. eta vs tors. theta energy: -0.013
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: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -159.775101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.775101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.775101 (E_RNA)
where:
Base-Base interactions energy: -98.793
where: short stacking energy: -47.689
Base-Backbone interact. energy: -0.493
local terms energy: -60.488961
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -103.888914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.888914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.888914 (E_RNA)
where:
Base-Base interactions energy: -63.657
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.109
local terms energy: -40.123071
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -241.427093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.427093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.427093 (E_RNA)
where:
Base-Base interactions energy: -166.231
where: short stacking energy: -72.437
Base-Backbone interact. energy: -0.261
local terms energy: -74.935234
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -263.504318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.504318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.504318 (E_RNA)
where:
Base-Base interactions energy: -183.294
where: short stacking energy: -74.067
Base-Backbone interact. energy: -1.247
local terms energy: -78.962541
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -19.852
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: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -261.255962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.255962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.255962 (E_RNA)
where:
Base-Base interactions energy: -188.712
where: short stacking energy: -72.142
Base-Backbone interact. energy: -0.039
local terms energy: -72.504425
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -256.891457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.891457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.891457 (E_RNA)
where:
Base-Base interactions energy: -184.173
where: short stacking energy: -77.392
Base-Backbone interact. energy: -1.582
local terms energy: -71.136715
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -216.710357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.710357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.710357 (E_RNA)
where:
Base-Base interactions energy: -146.551
where: short stacking energy: -51.111
Base-Backbone interact. energy: -0.431
local terms energy: -69.728332
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -11.839
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: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -201.079170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.079170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.079170 (E_RNA)
where:
Base-Base interactions energy: -130.069
where: short stacking energy: -56.028
Base-Backbone interact. energy: -1.626
local terms energy: -69.384402
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -17.898
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: 311
Temperature: 1.200000
Total energy: -206.774591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.774591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.774591 (E_RNA)
where:
Base-Base interactions energy: -148.519
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.912
local terms energy: -57.343785
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -156.723245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.723245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.723245 (E_RNA)
where:
Base-Base interactions energy: -95.573
where: short stacking energy: -43.187
Base-Backbone interact. energy: -0.310
local terms energy: -60.840800
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -93.852295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.852295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.852295 (E_RNA)
where:
Base-Base interactions energy: -44.708
where: short stacking energy: -36.411
Base-Backbone interact. energy: 1.542
local terms energy: -50.686059
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -88.854785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.854785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.854785 (E_RNA)
where:
Base-Base interactions energy: -45.556
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.877
local terms energy: -42.422147
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: 2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -265.975471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.975471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.975471 (E_RNA)
where:
Base-Base interactions energy: -199.008
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.190
local terms energy: -66.777212
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -240.322645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.322645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.322645 (E_RNA)
where:
Base-Base interactions energy: -164.902
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.285
local terms energy: -75.135658
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -15.759
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: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -266.628795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.628795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.628795 (E_RNA)
where:
Base-Base interactions energy: -187.545
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.238
local terms energy: -78.845592
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -253.873874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.873874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.873874 (E_RNA)
where:
Base-Base interactions energy: -173.158
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.663
local terms energy: -80.052814
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -241.191178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.191178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.191178 (E_RNA)
where:
Base-Base interactions energy: -181.241
where: short stacking energy: -72.084
Base-Backbone interact. energy: -1.357
local terms energy: -58.593091
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.520
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: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -226.756562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.756562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.756562 (E_RNA)
where:
Base-Base interactions energy: -157.524
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.159
local terms energy: -69.073264
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -194.078918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.078918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.078918 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.132
local terms energy: -51.283994
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -149.257773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.257773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.257773 (E_RNA)
where:
Base-Base interactions energy: -91.112
where: short stacking energy: -44.177
Base-Backbone interact. energy: -0.810
local terms energy: -57.335547
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.412
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: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -107.490794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.490794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.490794 (E_RNA)
where:
Base-Base interactions energy: -61.369
where: short stacking energy: -45.074
Base-Backbone interact. energy: 0.882
local terms energy: -47.003483
where:
bonds (distance) C4'-P energy: -6.960
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -87.337578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.337578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.337578 (E_RNA)
where:
Base-Base interactions energy: -36.126
where: short stacking energy: -32.463
Base-Backbone interact. energy: 0.338
local terms energy: -51.549646
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: 0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -263.362720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.362720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.362720 (E_RNA)
where:
Base-Base interactions energy: -183.095
where: short stacking energy: -76.989
Base-Backbone interact. energy: -2.142
local terms energy: -78.125840
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -263.892806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.892806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.892806 (E_RNA)
where:
Base-Base interactions energy: -184.583
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.001
local terms energy: -79.309466
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -23.050
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: 313
Temperature: 1.000000
Total energy: -240.444678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.444678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.444678 (E_RNA)
where:
Base-Base interactions energy: -166.010
where: short stacking energy: -78.765
Base-Backbone interact. energy: -1.053
local terms energy: -73.381569
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.997
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: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -250.761592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.761592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.761592 (E_RNA)
where:
Base-Base interactions energy: -172.917
where: short stacking energy: -71.816
Base-Backbone interact. energy: -0.003
local terms energy: -77.841940
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -250.181439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.181439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.181439 (E_RNA)
where:
Base-Base interactions energy: -173.378
where: short stacking energy: -69.099
Base-Backbone interact. energy: -0.047
local terms energy: -76.756193
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -18.587
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -211.698903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.698903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.698903 (E_RNA)
where:
Base-Base interactions energy: -150.767
where: short stacking energy: -67.515
Base-Backbone interact. energy: -0.149
local terms energy: -60.783358
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -206.987385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.987385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.987385 (E_RNA)
where:
Base-Base interactions energy: -141.019
where: short stacking energy: -56.172
Base-Backbone interact. energy: -1.235
local terms energy: -64.734148
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -11.649
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: 313
Temperature: 1.250000
Total energy: -159.659533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.659533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.659533 (E_RNA)
where:
Base-Base interactions energy: -103.162
where: short stacking energy: -39.006
Base-Backbone interact. energy: -1.290
local terms energy: -55.207638
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -90.069054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069054 (E_RNA)
where:
Base-Base interactions energy: -47.659
where: short stacking energy: -33.553
Base-Backbone interact. energy: -0.345
local terms energy: -42.065251
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -86.395448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.395448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.395448 (E_RNA)
where:
Base-Base interactions energy: -26.790
where: short stacking energy: -26.790
Base-Backbone interact. energy: -0.531
local terms energy: -59.075127
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -261.694982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.694982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.694982 (E_RNA)
where:
Base-Base interactions energy: -184.112
where: short stacking energy: -75.369
Base-Backbone interact. energy: -1.436
local terms energy: -76.146568
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -14.189
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -266.977035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.977035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.977035 (E_RNA)
where:
Base-Base interactions energy: -182.828
where: short stacking energy: -76.019
Base-Backbone interact. energy: -1.736
local terms energy: -82.413172
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -23.106
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: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -249.569437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.569437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.569437 (E_RNA)
where:
Base-Base interactions energy: -179.084
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.223
local terms energy: -70.262725
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -14.058
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -215.842891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.842891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.842891 (E_RNA)
where:
Base-Base interactions energy: -155.426
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.339
local terms energy: -60.077902
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -222.362267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.362267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.362267 (E_RNA)
where:
Base-Base interactions energy: -156.929
where: short stacking energy: -61.866
Base-Backbone interact. energy: 0.435
local terms energy: -65.868858
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -238.964910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.964910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.964910 (E_RNA)
where:
Base-Base interactions energy: -165.241
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.997
local terms energy: -72.727293
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -21.779
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -196.874309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.874309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.874309 (E_RNA)
where:
Base-Base interactions energy: -133.637
where: short stacking energy: -55.771
Base-Backbone interact. energy: -1.725
local terms energy: -61.512201
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -9.496
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: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -202.610285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.610285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.610285 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -51.995
Base-Backbone interact. energy: 0.652
local terms energy: -64.753088
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -93.250654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.250654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.250654 (E_RNA)
where:
Base-Base interactions energy: -44.539
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.246
local terms energy: -48.465588
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -7.004
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: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -86.481236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.481236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.481236 (E_RNA)
where:
Base-Base interactions energy: -35.331
where: short stacking energy: -33.882
Base-Backbone interact. energy: -0.166
local terms energy: -50.984240
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -259.352325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.352325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.352325 (E_RNA)
where:
Base-Base interactions energy: -185.930
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.231
local terms energy: -73.191466
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -262.717402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.717402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.717402 (E_RNA)
where:
Base-Base interactions energy: -183.967
where: short stacking energy: -72.570
Base-Backbone interact. energy: -0.111
local terms energy: -78.639413
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -20.542
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: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -242.546953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.546953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.546953 (E_RNA)
where:
Base-Base interactions energy: -180.459
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.452
local terms energy: -61.636137
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -228.550067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.550067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.550067 (E_RNA)
where:
Base-Base interactions energy: -153.560
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.173
local terms energy: -74.816271
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -234.431644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.431644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.431644 (E_RNA)
where:
Base-Base interactions energy: -158.643
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.189
local terms energy: -75.598767
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -252.882220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.882220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.882220 (E_RNA)
where:
Base-Base interactions energy: -188.962
where: short stacking energy: -67.174
Base-Backbone interact. energy: -0.077
local terms energy: -63.843051
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -191.744460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.744460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.744460 (E_RNA)
where:
Base-Base interactions energy: -126.641
where: short stacking energy: -55.623
Base-Backbone interact. energy: 0.557
local terms energy: -65.660048
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.605
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: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -187.365858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.365858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.365858 (E_RNA)
where:
Base-Base interactions energy: -132.372
where: short stacking energy: -47.125
Base-Backbone interact. energy: -1.109
local terms energy: -53.885358
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -86.290478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290478 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.026
local terms energy: -50.559653
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.216
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: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -86.087476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.087476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.087476 (E_RNA)
where:
Base-Base interactions energy: -36.051
where: short stacking energy: -26.585
Base-Backbone interact. energy: 0.063
local terms energy: -50.099860
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -264.355817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.355817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.355817 (E_RNA)
where:
Base-Base interactions energy: -183.386
where: short stacking energy: -76.538
Base-Backbone interact. energy: -0.163
local terms energy: -80.807343
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -253.430518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.430518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.430518 (E_RNA)
where:
Base-Base interactions energy: -172.563
where: short stacking energy: -75.334
Base-Backbone interact. energy: -0.019
local terms energy: -80.849011
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -252.540352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.540352 (E_RNA)
where:
Base-Base interactions energy: -180.615
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.038
local terms energy: -71.887872
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -15.352
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: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -213.445060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.445060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.445060 (E_RNA)
where:
Base-Base interactions energy: -137.645
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.230
local terms energy: -75.569782
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -225.398968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.398968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.398968 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.853
local terms energy: -72.575775
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -247.137860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.137860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.137860 (E_RNA)
where:
Base-Base interactions energy: -175.610
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.993
local terms energy: -70.534972
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -209.737960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.737960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.737960 (E_RNA)
where:
Base-Base interactions energy: -147.122
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.736
local terms energy: -61.880130
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -189.606304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.606304 (E_RNA)
where:
Base-Base interactions energy: -130.680
where: short stacking energy: -53.245
Base-Backbone interact. energy: -0.250
local terms energy: -58.676179
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -95.553766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.553766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.553766 (E_RNA)
where:
Base-Base interactions energy: -51.716
where: short stacking energy: -20.082
Base-Backbone interact. energy: 1.933
local terms energy: -45.771036
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -86.897924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.897924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.897924 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -33.884
Base-Backbone interact. energy: -0.414
local terms energy: -52.180256
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -258.737129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.737129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.737129 (E_RNA)
where:
Base-Base interactions energy: -181.592
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.055
local terms energy: -77.090228
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -22.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -257.268145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.268145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.268145 (E_RNA)
where:
Base-Base interactions energy: -188.688
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.695
local terms energy: -67.885618
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -258.328433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.328433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.328433 (E_RNA)
where:
Base-Base interactions energy: -184.652
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.708
local terms energy: -72.968974
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -232.216346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.216346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.216346 (E_RNA)
where:
Base-Base interactions energy: -161.775
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.285
local terms energy: -70.157229
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.970
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)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -219.830263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.830263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.830263 (E_RNA)
where:
Base-Base interactions energy: -150.229
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.825
local terms energy: -68.775983
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.091
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: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -246.146346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.146346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.146346 (E_RNA)
where:
Base-Base interactions energy: -167.831
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.116
local terms energy: -78.198756
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -219.802767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.802767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.802767 (E_RNA)
where:
Base-Base interactions energy: -152.041
where: short stacking energy: -66.237
Base-Backbone interact. energy: -1.818
local terms energy: -65.943840
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -16.001
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: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -192.479091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.479091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.479091 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -55.133
Base-Backbone interact. energy: -1.984
local terms energy: -59.328890
where:
bonds (distance) C4'-P energy: -7.090
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -10.783
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: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -93.556378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.556378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.556378 (E_RNA)
where:
Base-Base interactions energy: -39.231
where: short stacking energy: -39.231
Base-Backbone interact. energy: 1.455
local terms energy: -55.779511
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -4.628
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: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -80.332807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332807 (E_RNA)
where:
Base-Base interactions energy: -29.008
where: short stacking energy: -29.008
Base-Backbone interact. energy: -0.109
local terms energy: -51.215738
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -259.632176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.632176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.632176 (E_RNA)
where:
Base-Base interactions energy: -184.449
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.366
local terms energy: -74.817049
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -20.890
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: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -264.198118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.198118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.198118 (E_RNA)
where:
Base-Base interactions energy: -193.537
where: short stacking energy: -80.352
Base-Backbone interact. energy: 1.336
local terms energy: -71.997006
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -263.017153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.017153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.017153 (E_RNA)
where:
Base-Base interactions energy: -177.244
where: short stacking energy: -69.074
Base-Backbone interact. energy: -1.052
local terms energy: -84.721026
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -227.813650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.813650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.813650 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -67.806
Base-Backbone interact. energy: -2.351
local terms energy: -68.896228
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -253.269933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.269933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.269933 (E_RNA)
where:
Base-Base interactions energy: -187.066
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.082
local terms energy: -66.122285
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -209.431841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.431841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.431841 (E_RNA)
where:
Base-Base interactions energy: -142.132
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.150
local terms energy: -67.149547
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -193.109007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.109007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.109007 (E_RNA)
where:
Base-Base interactions energy: -125.110
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.131
local terms energy: -67.868220
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -164.819713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.819713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.819713 (E_RNA)
where:
Base-Base interactions energy: -115.107
where: short stacking energy: -46.314
Base-Backbone interact. energy: 0.431
local terms energy: -50.143858
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -104.559562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.559562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.559562 (E_RNA)
where:
Base-Base interactions energy: -60.418
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.794
local terms energy: -43.347566
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -90.421866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.421866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.421866 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.097
local terms energy: -53.196818
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -270.128035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.128035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.128035 (E_RNA)
where:
Base-Base interactions energy: -186.836
where: short stacking energy: -74.806
Base-Backbone interact. energy: -1.051
local terms energy: -82.240367
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -17.002
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: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -263.096809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.096809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.096809 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -74.687
Base-Backbone interact. energy: -1.286
local terms energy: -81.778849
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -19.963
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: 319
Temperature: 1.000000
Total energy: -260.615350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.615350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.615350 (E_RNA)
where:
Base-Base interactions energy: -179.496
where: short stacking energy: -73.922
Base-Backbone interact. energy: -0.624
local terms energy: -80.495835
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -249.546122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.546122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.546122 (E_RNA)
where:
Base-Base interactions energy: -180.853
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.105
local terms energy: -68.587712
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -17.935
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: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -230.977940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.977940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.977940 (E_RNA)
where:
Base-Base interactions energy: -158.041
where: short stacking energy: -61.414
Base-Backbone interact. energy: -0.434
local terms energy: -72.502730
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -208.881084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881084 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -54.549
Base-Backbone interact. energy: -1.357
local terms energy: -60.428343
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -205.503054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.503054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.503054 (E_RNA)
where:
Base-Base interactions energy: -140.945
where: short stacking energy: -54.429
Base-Backbone interact. energy: 0.029
local terms energy: -64.586645
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -168.279308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.279308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.279308 (E_RNA)
where:
Base-Base interactions energy: -105.071
where: short stacking energy: -51.033
Base-Backbone interact. energy: -0.176
local terms energy: -63.031817
where:
bonds (distance) C4'-P energy: -6.322
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -14.789
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: 319
Temperature: 1.300000
Total energy: -116.468190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.468190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.468190 (E_RNA)
where:
Base-Base interactions energy: -65.850
where: short stacking energy: -42.425
Base-Backbone interact. energy: 1.047
local terms energy: -51.665042
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -98.568419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.568419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.568419 (E_RNA)
where:
Base-Base interactions energy: -48.508
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.152
local terms energy: -49.907936
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -5.007
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: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -269.876186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.876186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.876186 (E_RNA)
where:
Base-Base interactions energy: -187.592
where: short stacking energy: -75.532
Base-Backbone interact. energy: -1.723
local terms energy: -80.560525
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -21.137
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -257.898019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.898019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.898019 (E_RNA)
where:
Base-Base interactions energy: -184.244
where: short stacking energy: -81.504
Base-Backbone interact. energy: -1.342
local terms energy: -72.312367
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -258.466343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.466343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.466343 (E_RNA)
where:
Base-Base interactions energy: -187.207
where: short stacking energy: -73.891
Base-Backbone interact. energy: -1.916
local terms energy: -69.343663
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -19.693
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: 320
Temperature: 1.050000
Total energy: -237.938570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.938570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938570 (E_RNA)
where:
Base-Base interactions energy: -172.798
where: short stacking energy: -71.418
Base-Backbone interact. energy: 0.520
local terms energy: -65.659860
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -218.330017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.330017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.330017 (E_RNA)
where:
Base-Base interactions energy: -156.018
where: short stacking energy: -60.264
Base-Backbone interact. energy: 0.082
local terms energy: -62.393643
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -210.779621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.779621 (E_RNA)
where:
Base-Base interactions energy: -140.212
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.610
local terms energy: -69.957902
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -212.495916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.495916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.495916 (E_RNA)
where:
Base-Base interactions energy: -145.385
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.553
local terms energy: -66.557904
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -15.627
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: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -148.578281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.578281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.578281 (E_RNA)
where:
Base-Base interactions energy: -99.508
where: short stacking energy: -43.615
Base-Backbone interact. energy: -0.177
local terms energy: -48.893154
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -3.772
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: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -85.393394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393394 (E_RNA)
where:
Base-Base interactions energy: -29.865
where: short stacking energy: -30.765
Base-Backbone interact. energy: 0.188
local terms energy: -55.715752
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -8.157
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -139.802764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.802764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.802764 (E_RNA)
where:
Base-Base interactions energy: -87.004
where: short stacking energy: -38.440
Base-Backbone interact. energy: -1.545
local terms energy: -51.253445
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -267.839300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.839300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.839300 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -75.933
Base-Backbone interact. energy: -0.007
local terms energy: -81.541983
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -22.587
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: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -261.659004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.659004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.659004 (E_RNA)
where:
Base-Base interactions energy: -185.507
where: short stacking energy: -79.685
Base-Backbone interact. energy: -1.673
local terms energy: -74.478619
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -13.201
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: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -259.706647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.706647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.706647 (E_RNA)
where:
Base-Base interactions energy: -183.307
where: short stacking energy: -79.707
Base-Backbone interact. energy: -0.670
local terms energy: -75.729503
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -23.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -223.654927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.654927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.654927 (E_RNA)
where:
Base-Base interactions energy: -149.559
where: short stacking energy: -56.397
Base-Backbone interact. energy: 0.269
local terms energy: -74.365397
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -231.530791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.530791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.530791 (E_RNA)
where:
Base-Base interactions energy: -157.966
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.085
local terms energy: -73.479915
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -13.833
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: 321
Temperature: 1.150000
Total energy: -203.107660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.107660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.107660 (E_RNA)
where:
Base-Base interactions energy: -133.646
where: short stacking energy: -64.232
Base-Backbone interact. energy: -0.194
local terms energy: -69.268159
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -218.321689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.321689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.321689 (E_RNA)
where:
Base-Base interactions energy: -148.859
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.312
local terms energy: -69.150511
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -157.169944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.169944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.169944 (E_RNA)
where:
Base-Base interactions energy: -100.376
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.677
local terms energy: -56.117333
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.998389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.998389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.998389 (E_RNA)
where:
Base-Base interactions energy: -44.259
where: short stacking energy: -23.515
Base-Backbone interact. energy: -0.233
local terms energy: -41.506544
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: 1.764
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: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -133.015627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.015627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.015627 (E_RNA)
where:
Base-Base interactions energy: -75.829
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.315
local terms energy: -56.871138
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -262.540913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.540913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.540913 (E_RNA)
where:
Base-Base interactions energy: -181.151
where: short stacking energy: -71.453
Base-Backbone interact. energy: -0.081
local terms energy: -81.308916
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -18.895
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: 322
Temperature: 0.950000
Total energy: -265.829738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.829738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.829738 (E_RNA)
where:
Base-Base interactions energy: -184.605
where: short stacking energy: -76.795
Base-Backbone interact. energy: -2.186
local terms energy: -79.038937
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -254.827094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.827094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.827094 (E_RNA)
where:
Base-Base interactions energy: -174.329
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.040
local terms energy: -80.458325
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -227.571525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.571525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.571525 (E_RNA)
where:
Base-Base interactions energy: -156.102
where: short stacking energy: -71.689
Base-Backbone interact. energy: -0.300
local terms energy: -71.169812
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -17.503
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: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -218.046370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.046370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.046370 (E_RNA)
where:
Base-Base interactions energy: -157.616
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.058
local terms energy: -60.371968
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -10.902
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: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -199.467969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.467969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.467969 (E_RNA)
where:
Base-Base interactions energy: -131.517
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.234
local terms energy: -67.717045
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -13.007
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: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -202.806266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806266 (E_RNA)
where:
Base-Base interactions energy: -138.580
where: short stacking energy: -57.156
Base-Backbone interact. energy: -0.212
local terms energy: -64.014324
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -12.891
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: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -162.206151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.206151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.206151 (E_RNA)
where:
Base-Base interactions energy: -88.832
where: short stacking energy: -46.260
Base-Backbone interact. energy: -0.011
local terms energy: -73.363119
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -10.839
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: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -144.727265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.727265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.727265 (E_RNA)
where:
Base-Base interactions energy: -92.324
where: short stacking energy: -44.749
Base-Backbone interact. energy: -0.324
local terms energy: -52.078877
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -91.214655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214655 (E_RNA)
where:
Base-Base interactions energy: -53.122
where: short stacking energy: -28.746
Base-Backbone interact. energy: 0.915
local terms energy: -39.007420
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -262.032549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.032549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.032549 (E_RNA)
where:
Base-Base interactions energy: -186.254
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.073
local terms energy: -75.706436
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -268.754000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.754000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.754000 (E_RNA)
where:
Base-Base interactions energy: -190.751
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.043
local terms energy: -77.959934
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -12.301
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: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -258.907355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.907355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.907355 (E_RNA)
where:
Base-Base interactions energy: -179.151
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.685
local terms energy: -79.070876
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -216.582901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.582901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.582901 (E_RNA)
where:
Base-Base interactions energy: -144.049
where: short stacking energy: -55.976
Base-Backbone interact. energy: -1.114
local terms energy: -71.419111
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -203.703882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.703882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.703882 (E_RNA)
where:
Base-Base interactions energy: -124.675
where: short stacking energy: -59.430
Base-Backbone interact. energy: 0.223
local terms energy: -79.252226
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -206.274958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.274958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.274958 (E_RNA)
where:
Base-Base interactions energy: -140.673
where: short stacking energy: -59.348
Base-Backbone interact. energy: -0.159
local terms energy: -65.443884
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -14.051
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: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -199.001157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.001157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.001157 (E_RNA)
where:
Base-Base interactions energy: -134.628
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.999
local terms energy: -63.374306
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -136.256904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.256904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.256904 (E_RNA)
where:
Base-Base interactions energy: -86.730
where: short stacking energy: -44.370
Base-Backbone interact. energy: -1.466
local terms energy: -48.060544
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -8.472
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -159.349859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.349859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.349859 (E_RNA)
where:
Base-Base interactions energy: -98.657
where: short stacking energy: -38.233
Base-Backbone interact. energy: -0.574
local terms energy: -60.119067
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -7.535
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: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -138.335619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.335619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.335619 (E_RNA)
where:
Base-Base interactions energy: -84.194
where: short stacking energy: -44.885
Base-Backbone interact. energy: 1.004
local terms energy: -55.145528
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -6.631
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: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -266.402513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.402513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.402513 (E_RNA)
where:
Base-Base interactions energy: -185.749
where: short stacking energy: -79.383
Base-Backbone interact. energy: -0.060
local terms energy: -80.593412
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -261.836851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.836851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.836851 (E_RNA)
where:
Base-Base interactions energy: -183.487
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.158
local terms energy: -78.192275
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -259.909052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.909052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.909052 (E_RNA)
where:
Base-Base interactions energy: -181.801
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.250
local terms energy: -77.857799
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -19.312
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: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -234.311260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.311260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.311260 (E_RNA)
where:
Base-Base interactions energy: -162.184
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.026
local terms energy: -72.101750
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -217.367335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.367335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.367335 (E_RNA)
where:
Base-Base interactions energy: -152.129
where: short stacking energy: -66.300
Base-Backbone interact. energy: 0.111
local terms energy: -65.349609
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -17.878
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: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -230.360804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.360804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.360804 (E_RNA)
where:
Base-Base interactions energy: -154.843
where: short stacking energy: -68.616
Base-Backbone interact. energy: -0.030
local terms energy: -75.487514
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -208.159236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.159236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.159236 (E_RNA)
where:
Base-Base interactions energy: -135.660
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.449
local terms energy: -72.050139
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -14.174
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: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -160.092522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.092522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.092522 (E_RNA)
where:
Base-Base interactions energy: -98.238
where: short stacking energy: -47.647
Base-Backbone interact. energy: -0.389
local terms energy: -61.465850
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -146.890087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.890087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.890087 (E_RNA)
where:
Base-Base interactions energy: -88.855
where: short stacking energy: -46.945
Base-Backbone interact. energy: -0.094
local terms energy: -57.940851
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.646
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: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -144.519116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.519116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.519116 (E_RNA)
where:
Base-Base interactions energy: -89.546
where: short stacking energy: -39.049
Base-Backbone interact. energy: -0.283
local terms energy: -54.690154
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -267.406384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.406384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.406384 (E_RNA)
where:
Base-Base interactions energy: -189.020
where: short stacking energy: -77.503
Base-Backbone interact. energy: -0.930
local terms energy: -77.456010
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -264.078551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.078551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.078551 (E_RNA)
where:
Base-Base interactions energy: -183.388
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.202
local terms energy: -80.488668
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -21.691
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -265.137677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.137677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.137677 (E_RNA)
where:
Base-Base interactions energy: -181.076
where: short stacking energy: -75.027
Base-Backbone interact. energy: -1.518
local terms energy: -82.543645
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -22.718
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: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -226.594738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.594738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.594738 (E_RNA)
where:
Base-Base interactions energy: -153.721
where: short stacking energy: -64.016
Base-Backbone interact. energy: -1.034
local terms energy: -71.839855
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -14.020
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: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -229.340807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.340807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.340807 (E_RNA)
where:
Base-Base interactions energy: -160.567
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.147
local terms energy: -68.627096
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -245.921584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.921584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.921584 (E_RNA)
where:
Base-Base interactions energy: -173.620
where: short stacking energy: -75.997
Base-Backbone interact. energy: -2.004
local terms energy: -70.297232
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -19.119
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: 325
Temperature: 1.200000
Total energy: -223.646656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.646656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.646656 (E_RNA)
where:
Base-Base interactions energy: -147.748
where: short stacking energy: -62.824
Base-Backbone interact. energy: 0.017
local terms energy: -75.916130
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -19.808
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: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -157.428043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.428043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.428043 (E_RNA)
where:
Base-Base interactions energy: -99.615
where: short stacking energy: -38.657
Base-Backbone interact. energy: 1.742
local terms energy: -59.554754
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -139.109922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.109922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.109922 (E_RNA)
where:
Base-Base interactions energy: -78.027
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.309
local terms energy: -60.774004
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -135.455249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.455249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.455249 (E_RNA)
where:
Base-Base interactions energy: -85.404
where: short stacking energy: -41.714
Base-Backbone interact. energy: -0.337
local terms energy: -49.714917
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -8.653
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: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -270.015375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.015375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.015375 (E_RNA)
where:
Base-Base interactions energy: -189.763
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.015
local terms energy: -80.237641
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -266.132888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.132888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.132888 (E_RNA)
where:
Base-Base interactions energy: -186.542
where: short stacking energy: -69.904
Base-Backbone interact. energy: -0.001
local terms energy: -79.589114
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -272.170033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.170033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.170033 (E_RNA)
where:
Base-Base interactions energy: -189.645
where: short stacking energy: -76.697
Base-Backbone interact. energy: -1.825
local terms energy: -80.699971
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -22.878
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: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -228.585387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.585387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.585387 (E_RNA)
where:
Base-Base interactions energy: -148.998
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.082
local terms energy: -79.506219
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -235.435661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.435661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.435661 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.008
local terms energy: -86.031811
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -217.125435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.125435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.125435 (E_RNA)
where:
Base-Base interactions energy: -145.925
where: short stacking energy: -61.495
Base-Backbone interact. energy: -1.088
local terms energy: -70.112824
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -12.486
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: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -207.371551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.371551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.371551 (E_RNA)
where:
Base-Base interactions energy: -134.731
where: short stacking energy: -55.169
Base-Backbone interact. energy: -2.171
local terms energy: -70.469021
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -153.386909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.386909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.386909 (E_RNA)
where:
Base-Base interactions energy: -101.471
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.360
local terms energy: -51.555760
where:
bonds (distance) C4'-P energy: -6.864
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -6.230
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: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -166.024852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.024852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.024852 (E_RNA)
where:
Base-Base interactions energy: -95.899
where: short stacking energy: -51.174
Base-Backbone interact. energy: 0.098
local terms energy: -70.224434
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -16.577
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: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -153.053583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.053583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.053583 (E_RNA)
where:
Base-Base interactions energy: -88.171
where: short stacking energy: -42.284
Base-Backbone interact. energy: -0.207
local terms energy: -64.675404
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -10.208
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: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -273.333467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.333467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.333467 (E_RNA)
where:
Base-Base interactions energy: -187.738
where: short stacking energy: -76.231
Base-Backbone interact. energy: -0.434
local terms energy: -85.161547
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -267.121121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.121121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.121121 (E_RNA)
where:
Base-Base interactions energy: -185.407
where: short stacking energy: -80.034
Base-Backbone interact. energy: -0.979
local terms energy: -80.735537
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -262.435447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.435447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.435447 (E_RNA)
where:
Base-Base interactions energy: -184.828
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.284
local terms energy: -77.323473
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -256.924258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.924258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.924258 (E_RNA)
where:
Base-Base interactions energy: -181.505
where: short stacking energy: -72.872
Base-Backbone interact. energy: 2.775
local terms energy: -78.194306
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.571
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: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -215.413330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.413330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.413330 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.065
local terms energy: -60.067482
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -17.012
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: 327
Temperature: 1.150000
Total energy: -214.475152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.475152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.475152 (E_RNA)
where:
Base-Base interactions energy: -153.665
where: short stacking energy: -59.283
Base-Backbone interact. energy: 0.190
local terms energy: -61.000487
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -211.487678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.487678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.487678 (E_RNA)
where:
Base-Base interactions energy: -139.467
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.259
local terms energy: -71.761518
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -10.132
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -149.996558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.996558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.996558 (E_RNA)
where:
Base-Base interactions energy: -95.616
where: short stacking energy: -47.247
Base-Backbone interact. energy: -0.376
local terms energy: -54.004825
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -150.152469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.152469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.152469 (E_RNA)
where:
Base-Base interactions energy: -87.736
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.284
local terms energy: -62.132955
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -148.429307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.429307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.429307 (E_RNA)
where:
Base-Base interactions energy: -89.684
where: short stacking energy: -48.808
Base-Backbone interact. energy: 1.370
local terms energy: -60.115407
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -7.101
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: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -269.174903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.174903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.174903 (E_RNA)
where:
Base-Base interactions energy: -191.393
where: short stacking energy: -80.280
Base-Backbone interact. energy: -0.261
local terms energy: -77.521741
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -270.554053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.554053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.554053 (E_RNA)
where:
Base-Base interactions energy: -188.820
where: short stacking energy: -76.331
Base-Backbone interact. energy: -1.382
local terms energy: -80.352242
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -268.936536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.936536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.936536 (E_RNA)
where:
Base-Base interactions energy: -190.356
where: short stacking energy: -73.827
Base-Backbone interact. energy: -0.006
local terms energy: -78.575181
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -258.041949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.041949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.041949 (E_RNA)
where:
Base-Base interactions energy: -181.117
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.418
local terms energy: -76.506518
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -225.224123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.224123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.224123 (E_RNA)
where:
Base-Base interactions energy: -157.421
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.525
local terms energy: -67.278674
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -217.078154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.078154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.078154 (E_RNA)
where:
Base-Base interactions energy: -150.618
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.147
local terms energy: -66.313537
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -17.300
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: 328
Temperature: 1.200000
Total energy: -207.665171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.665171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.665171 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -53.318
Base-Backbone interact. energy: -0.132
local terms energy: -69.675763
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -160.206167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.206167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.206167 (E_RNA)
where:
Base-Base interactions energy: -103.050
where: short stacking energy: -46.836
Base-Backbone interact. energy: -0.293
local terms energy: -56.863271
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -7.319
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -148.588834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.588834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.588834 (E_RNA)
where:
Base-Base interactions energy: -88.186
where: short stacking energy: -35.155
Base-Backbone interact. energy: -1.031
local terms energy: -59.371401
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -3.260
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: 328
Temperature: 1.350000
Total energy: -84.831925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831925 (E_RNA)
where:
Base-Base interactions energy: -31.452
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.563
local terms energy: -52.817187
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -267.165706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.165706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.165706 (E_RNA)
where:
Base-Base interactions energy: -183.838
where: short stacking energy: -74.973
Base-Backbone interact. energy: -0.814
local terms energy: -82.513384
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -267.676614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.676614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.676614 (E_RNA)
where:
Base-Base interactions energy: -188.516
where: short stacking energy: -75.159
Base-Backbone interact. energy: -0.003
local terms energy: -79.157888
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -261.601770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.601770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.601770 (E_RNA)
where:
Base-Base interactions energy: -183.809
where: short stacking energy: -75.779
Base-Backbone interact. energy: -1.289
local terms energy: -76.503538
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -225.767119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.767119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.767119 (E_RNA)
where:
Base-Base interactions energy: -154.576
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.251
local terms energy: -70.940285
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -16.890
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: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -256.649089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.649089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.649089 (E_RNA)
where:
Base-Base interactions energy: -174.322
where: short stacking energy: -70.771
Base-Backbone interact. energy: -1.309
local terms energy: -81.017719
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -214.160825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.160825 (E_RNA)
where:
Base-Base interactions energy: -145.605
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.148
local terms energy: -68.408033
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -216.237557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.237557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.237557 (E_RNA)
where:
Base-Base interactions energy: -151.459
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.128
local terms energy: -64.650418
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -161.350499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.350499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.350499 (E_RNA)
where:
Base-Base interactions energy: -102.440
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.517
local terms energy: -58.393634
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -160.679198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.679198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.679198 (E_RNA)
where:
Base-Base interactions energy: -100.785
where: short stacking energy: -49.454
Base-Backbone interact. energy: -0.555
local terms energy: -59.339309
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -83.763916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.763916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.763916 (E_RNA)
where:
Base-Base interactions energy: -37.271
where: short stacking energy: -24.636
Base-Backbone interact. energy: 0.401
local terms energy: -46.894784
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: 1.988
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: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -266.126167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.126167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.126167 (E_RNA)
where:
Base-Base interactions energy: -183.437
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.156
local terms energy: -82.533658
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -13.063
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: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -264.986744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.986744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.986744 (E_RNA)
where:
Base-Base interactions energy: -183.325
where: short stacking energy: -78.992
Base-Backbone interact. energy: -0.020
local terms energy: -81.641447
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -19.730
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: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -260.699833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.699833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.699833 (E_RNA)
where:
Base-Base interactions energy: -179.519
where: short stacking energy: -75.554
Base-Backbone interact. energy: -1.118
local terms energy: -80.061932
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -223.401942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.401942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.401942 (E_RNA)
where:
Base-Base interactions energy: -160.770
where: short stacking energy: -67.240
Base-Backbone interact. energy: -1.375
local terms energy: -61.256389
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -1.488
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -248.599952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.599952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.599952 (E_RNA)
where:
Base-Base interactions energy: -176.131
where: short stacking energy: -73.363
Base-Backbone interact. energy: -0.414
local terms energy: -72.055379
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -200.902798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.902798 (E_RNA)
where:
Base-Base interactions energy: -140.960
where: short stacking energy: -51.114
Base-Backbone interact. energy: -1.388
local terms energy: -58.555156
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -212.918190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.918190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.918190 (E_RNA)
where:
Base-Base interactions energy: -148.176
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.037
local terms energy: -64.704502
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -14.413
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: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -154.323165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.323165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.323165 (E_RNA)
where:
Base-Base interactions energy: -91.863
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.224
local terms energy: -62.236194
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -155.354800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.354800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.354800 (E_RNA)
where:
Base-Base interactions energy: -97.303
where: short stacking energy: -56.273
Base-Backbone interact. energy: -0.171
local terms energy: -57.880625
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -11.887
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: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -83.268179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268179 (E_RNA)
where:
Base-Base interactions energy: -34.263
where: short stacking energy: -29.115
Base-Backbone interact. energy: -0.031
local terms energy: -48.974334
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -267.349170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.349170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.349170 (E_RNA)
where:
Base-Base interactions energy: -186.784
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.013
local terms energy: -80.551794
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -20.633
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: 331
Temperature: 0.950000
Total energy: -262.004513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.004513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.004513 (E_RNA)
where:
Base-Base interactions energy: -185.759
where: short stacking energy: -70.530
Base-Backbone interact. energy: -0.555
local terms energy: -75.690776
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -22.392
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: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -266.703564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.703564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.703564 (E_RNA)
where:
Base-Base interactions energy: -178.219
where: short stacking energy: -69.150
Base-Backbone interact. energy: -1.340
local terms energy: -87.144436
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -255.565354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.565354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.565354 (E_RNA)
where:
Base-Base interactions energy: -187.960
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.099
local terms energy: -67.506880
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -218.265771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.265771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.265771 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.300
local terms energy: -70.883989
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -15.407
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: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -184.418330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.418330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.418330 (E_RNA)
where:
Base-Base interactions energy: -130.559
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.455
local terms energy: -53.404340
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.592
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: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -196.818263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.818263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.818263 (E_RNA)
where:
Base-Base interactions energy: -125.218
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.290
local terms energy: -71.310764
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -9.002
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: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -147.579228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.579228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.579228 (E_RNA)
where:
Base-Base interactions energy: -89.692
where: short stacking energy: -44.157
Base-Backbone interact. energy: -0.010
local terms energy: -57.877367
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -147.940825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.940825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.940825 (E_RNA)
where:
Base-Base interactions energy: -92.979
where: short stacking energy: -39.424
Base-Backbone interact. energy: -1.466
local terms energy: -53.495754
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -81.980595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980595 (E_RNA)
where:
Base-Base interactions energy: -33.663
where: short stacking energy: -26.387
Base-Backbone interact. energy: -0.168
local terms energy: -48.149658
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -274.881904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.881904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.881904 (E_RNA)
where:
Base-Base interactions energy: -192.413
where: short stacking energy: -76.372
Base-Backbone interact. energy: -0.024
local terms energy: -82.444847
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -264.761869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.761869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.761869 (E_RNA)
where:
Base-Base interactions energy: -192.365
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.203
local terms energy: -72.194021
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -21.884
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: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -266.198311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.198311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.198311 (E_RNA)
where:
Base-Base interactions energy: -191.768
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.127
local terms energy: -74.302521
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -22.183
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: 332
Temperature: 1.050000
Total energy: -254.798934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.798934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.798934 (E_RNA)
where:
Base-Base interactions energy: -173.465
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.035
local terms energy: -81.299415
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -197.453451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.453451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.453451 (E_RNA)
where:
Base-Base interactions energy: -129.632
where: short stacking energy: -48.485
Base-Backbone interact. energy: 0.352
local terms energy: -68.173145
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -207.776357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776357 (E_RNA)
where:
Base-Base interactions energy: -141.110
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.329
local terms energy: -66.337504
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -13.503
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: 332
Temperature: 1.200000
Total energy: -190.673257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.673257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.673257 (E_RNA)
where:
Base-Base interactions energy: -129.469
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.082
local terms energy: -61.121806
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -10.559
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: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -161.030029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.030029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.030029 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -47.008
Base-Backbone interact. energy: -0.222
local terms energy: -54.018317
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -158.351781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.351781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.351781 (E_RNA)
where:
Base-Base interactions energy: -87.030
where: short stacking energy: -43.348
Base-Backbone interact. energy: -0.139
local terms energy: -71.182346
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -93.157921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157921 (E_RNA)
where:
Base-Base interactions energy: -45.657
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.144
local terms energy: -47.356288
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -277.453862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.453862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.453862 (E_RNA)
where:
Base-Base interactions energy: -196.284
where: short stacking energy: -84.844
Base-Backbone interact. energy: -0.162
local terms energy: -81.008138
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -272.595457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.595457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.595457 (E_RNA)
where:
Base-Base interactions energy: -185.239
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.918
local terms energy: -86.438253
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -263.628338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.628338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.628338 (E_RNA)
where:
Base-Base interactions energy: -183.655
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.101
local terms energy: -79.871749
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -13.587
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: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -266.064960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.064960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.064960 (E_RNA)
where:
Base-Base interactions energy: -189.921
where: short stacking energy: -80.172
Base-Backbone interact. energy: -0.234
local terms energy: -75.910114
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -206.242157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.242157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.242157 (E_RNA)
where:
Base-Base interactions energy: -142.128
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.397
local terms energy: -63.717427
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -219.626728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.626728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.626728 (E_RNA)
where:
Base-Base interactions energy: -145.310
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.899
local terms energy: -73.416842
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -216.628944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.628944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.628944 (E_RNA)
where:
Base-Base interactions energy: -148.930
where: short stacking energy: -51.382
Base-Backbone interact. energy: -3.149
local terms energy: -64.550367
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -132.689347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.689347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.689347 (E_RNA)
where:
Base-Base interactions energy: -75.214
where: short stacking energy: -33.536
Base-Backbone interact. energy: -1.087
local terms energy: -56.387832
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -158.365465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.365465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.365465 (E_RNA)
where:
Base-Base interactions energy: -101.589
where: short stacking energy: -52.864
Base-Backbone interact. energy: -0.011
local terms energy: -56.765662
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.068802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068802 (E_RNA)
where:
Base-Base interactions energy: -27.973
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.117
local terms energy: -48.978416
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -272.485264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.485264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.485264 (E_RNA)
where:
Base-Base interactions energy: -194.099
where: short stacking energy: -76.957
Base-Backbone interact. energy: -0.127
local terms energy: -78.260100
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -257.139000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.139000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.139000 (E_RNA)
where:
Base-Base interactions energy: -174.075
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.001
local terms energy: -83.063188
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -20.855
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: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -271.598140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.598140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.598140 (E_RNA)
where:
Base-Base interactions energy: -185.644
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.001
local terms energy: -85.953422
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -258.436699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.436699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.436699 (E_RNA)
where:
Base-Base interactions energy: -177.132
where: short stacking energy: -67.090
Base-Backbone interact. energy: 1.295
local terms energy: -82.599366
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -19.765
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -220.050330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.050330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.050330 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.926
local terms energy: -73.048284
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -203.513034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.513034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.513034 (E_RNA)
where:
Base-Base interactions energy: -130.281
where: short stacking energy: -58.318
Base-Backbone interact. energy: -1.133
local terms energy: -72.099094
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -202.671091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.671091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.671091 (E_RNA)
where:
Base-Base interactions energy: -142.189
where: short stacking energy: -60.750
Base-Backbone interact. energy: 0.202
local terms energy: -60.684208
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -1.544
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -156.186136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.186136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.186136 (E_RNA)
where:
Base-Base interactions energy: -93.598
where: short stacking energy: -50.093
Base-Backbone interact. energy: -0.105
local terms energy: -62.483386
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -8.181
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: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -145.643342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.643342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.643342 (E_RNA)
where:
Base-Base interactions energy: -94.612
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.114
local terms energy: -50.918144
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -8.775
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -78.217511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.217511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.217511 (E_RNA)
where:
Base-Base interactions energy: -23.965
where: short stacking energy: -22.466
Base-Backbone interact. energy: 1.423
local terms energy: -55.674860
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -262.159844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.159844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.159844 (E_RNA)
where:
Base-Base interactions energy: -180.124
where: short stacking energy: -74.025
Base-Backbone interact. energy: 0.021
local terms energy: -82.056753
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -265.341903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.341903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.341903 (E_RNA)
where:
Base-Base interactions energy: -188.354
where: short stacking energy: -77.121
Base-Backbone interact. energy: -2.004
local terms energy: -74.983884
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -271.768430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.768430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.768430 (E_RNA)
where:
Base-Base interactions energy: -198.448
where: short stacking energy: -77.896
Base-Backbone interact. energy: -0.021
local terms energy: -73.300244
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -253.422105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.422105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.422105 (E_RNA)
where:
Base-Base interactions energy: -172.156
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.631
local terms energy: -80.635109
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -9.798
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: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -214.723212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.723212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.723212 (E_RNA)
where:
Base-Base interactions energy: -154.195
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.104
local terms energy: -60.423438
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -211.718510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.718510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.718510 (E_RNA)
where:
Base-Base interactions energy: -145.424
where: short stacking energy: -58.420
Base-Backbone interact. energy: -1.027
local terms energy: -65.266616
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -211.625495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.625495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.625495 (E_RNA)
where:
Base-Base interactions energy: -149.406
where: short stacking energy: -60.047
Base-Backbone interact. energy: 0.049
local terms energy: -62.268370
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -11.794
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: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -174.808353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.808353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.808353 (E_RNA)
where:
Base-Base interactions energy: -121.152
where: short stacking energy: -41.880
Base-Backbone interact. energy: -0.477
local terms energy: -53.179552
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.516
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: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -148.333040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.333040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.333040 (E_RNA)
where:
Base-Base interactions energy: -90.842
where: short stacking energy: -46.869
Base-Backbone interact. energy: 0.116
local terms energy: -57.606473
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -84.702277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.702277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.702277 (E_RNA)
where:
Base-Base interactions energy: -42.625
where: short stacking energy: -17.564
Base-Backbone interact. energy: 0.882
local terms energy: -42.959429
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: 1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -272.386301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.386301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.386301 (E_RNA)
where:
Base-Base interactions energy: -195.672
where: short stacking energy: -79.436
Base-Backbone interact. energy: -0.026
local terms energy: -76.688026
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -262.627381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.627381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.627381 (E_RNA)
where:
Base-Base interactions energy: -189.359
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.307
local terms energy: -72.962051
where:
bonds (distance) C4'-P energy: -6.827
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -256.659728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.659728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.659728 (E_RNA)
where:
Base-Base interactions energy: -184.106
where: short stacking energy: -77.290
Base-Backbone interact. energy: -0.053
local terms energy: -72.500784
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -262.323767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.323767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.323767 (E_RNA)
where:
Base-Base interactions energy: -194.937
where: short stacking energy: -74.883
Base-Backbone interact. energy: -0.346
local terms energy: -67.040371
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -219.861174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.861174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.861174 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.115
local terms energy: -70.568605
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -222.822917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.822917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.822917 (E_RNA)
where:
Base-Base interactions energy: -154.971
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.795
local terms energy: -67.057022
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -200.770585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.770585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.770585 (E_RNA)
where:
Base-Base interactions energy: -132.389
where: short stacking energy: -50.074
Base-Backbone interact. energy: 2.033
local terms energy: -70.413829
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -189.221539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.221539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.221539 (E_RNA)
where:
Base-Base interactions energy: -126.084
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.803
local terms energy: -62.334473
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -150.781300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.781300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.781300 (E_RNA)
where:
Base-Base interactions energy: -100.745
where: short stacking energy: -47.663
Base-Backbone interact. energy: -0.166
local terms energy: -49.870453
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -4.032
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -95.481218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.481218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.481218 (E_RNA)
where:
Base-Base interactions energy: -40.053
where: short stacking energy: -36.245
Base-Backbone interact. energy: 0.193
local terms energy: -55.621453
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -4.642
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: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -265.515044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.515044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.515044 (E_RNA)
where:
Base-Base interactions energy: -184.285
where: short stacking energy: -76.191
Base-Backbone interact. energy: -0.553
local terms energy: -80.677023
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -260.988852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.988852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.988852 (E_RNA)
where:
Base-Base interactions energy: -189.100
where: short stacking energy: -71.481
Base-Backbone interact. energy: 0.305
local terms energy: -72.193679
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -258.260186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.260186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.260186 (E_RNA)
where:
Base-Base interactions energy: -177.120
where: short stacking energy: -76.741
Base-Backbone interact. energy: -1.675
local terms energy: -79.464814
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -22.387
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: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -226.235400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.235400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.235400 (E_RNA)
where:
Base-Base interactions energy: -156.934
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.759
local terms energy: -68.542534
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -245.316927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.316927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.316927 (E_RNA)
where:
Base-Base interactions energy: -172.163
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.001
local terms energy: -73.153312
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -205.932170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.932170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.932170 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -56.160
Base-Backbone interact. energy: -1.079
local terms energy: -66.760319
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -13.063
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: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -208.243017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.243017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.243017 (E_RNA)
where:
Base-Base interactions energy: -143.896
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.219
local terms energy: -64.128106
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -168.887859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.887859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.887859 (E_RNA)
where:
Base-Base interactions energy: -111.406
where: short stacking energy: -40.013
Base-Backbone interact. energy: -0.850
local terms energy: -56.632069
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -5.725
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -130.382692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.382692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.382692 (E_RNA)
where:
Base-Base interactions energy: -72.489
where: short stacking energy: -34.560
Base-Backbone interact. energy: -1.019
local terms energy: -56.874149
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -82.700498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.700498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.700498 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -23.341
Base-Backbone interact. energy: 2.261
local terms energy: -53.585952
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -274.882041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.882041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.882041 (E_RNA)
where:
Base-Base interactions energy: -202.515
where: short stacking energy: -70.392
Base-Backbone interact. energy: -0.067
local terms energy: -72.299927
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -259.499285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.499285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.499285 (E_RNA)
where:
Base-Base interactions energy: -176.870
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.294
local terms energy: -82.334920
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -256.970234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.970234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.970234 (E_RNA)
where:
Base-Base interactions energy: -179.869
where: short stacking energy: -71.831
Base-Backbone interact. energy: -0.523
local terms energy: -76.578136
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -232.871724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.871724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.871724 (E_RNA)
where:
Base-Base interactions energy: -160.624
where: short stacking energy: -69.860
Base-Backbone interact. energy: -0.150
local terms energy: -72.096973
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -252.873492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.873492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.873492 (E_RNA)
where:
Base-Base interactions energy: -174.174
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.351
local terms energy: -78.348660
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -213.781615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.781615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.781615 (E_RNA)
where:
Base-Base interactions energy: -149.374
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.264
local terms energy: -64.143664
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -203.261583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.261583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.261583 (E_RNA)
where:
Base-Base interactions energy: -146.621
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.267
local terms energy: -56.373604
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -180.661272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.661272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.661272 (E_RNA)
where:
Base-Base interactions energy: -111.518
where: short stacking energy: -48.850
Base-Backbone interact. energy: -1.000
local terms energy: -68.142695
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -146.858731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.858731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.858731 (E_RNA)
where:
Base-Base interactions energy: -89.731
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.173
local terms energy: -56.954799
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -4.814
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: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -96.638751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.638751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.638751 (E_RNA)
where:
Base-Base interactions energy: -43.868
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.074
local terms energy: -52.697255
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -278.796103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.796103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.796103 (E_RNA)
where:
Base-Base interactions energy: -210.277
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.032
local terms energy: -68.486420
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -262.486002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.486002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.486002 (E_RNA)
where:
Base-Base interactions energy: -185.487
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.377
local terms energy: -76.622564
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -254.638458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.638458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.638458 (E_RNA)
where:
Base-Base interactions energy: -179.183
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.025
local terms energy: -75.430118
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -20.128
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: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -263.521466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.521466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.521466 (E_RNA)
where:
Base-Base interactions energy: -192.422
where: short stacking energy: -82.569
Base-Backbone interact. energy: -0.071
local terms energy: -71.028270
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -2.878
tors. eta vs tors. theta energy: -20.582
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: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -211.780976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.780976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.780976 (E_RNA)
where:
Base-Base interactions energy: -143.332
where: short stacking energy: -57.077
Base-Backbone interact. energy: -0.294
local terms energy: -68.155291
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.422
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)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -205.283460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.283460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.283460 (E_RNA)
where:
Base-Base interactions energy: -140.915
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.284
local terms energy: -64.085106
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -208.080825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.080825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.080825 (E_RNA)
where:
Base-Base interactions energy: -144.418
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.358
local terms energy: -63.305598
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -13.653
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: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -169.773854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.773854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.773854 (E_RNA)
where:
Base-Base interactions energy: -112.471
where: short stacking energy: -48.088
Base-Backbone interact. energy: -0.134
local terms energy: -57.168439
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -7.708
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: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -144.612587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.612587 (E_RNA)
where:
Base-Base interactions energy: -86.336
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.016
local terms energy: -58.260703
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -8.833
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: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -88.816204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816204 (E_RNA)
where:
Base-Base interactions energy: -52.046
where: short stacking energy: -27.430
Base-Backbone interact. energy: -0.274
local terms energy: -36.496958
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -269.357975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.357975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.357975 (E_RNA)
where:
Base-Base interactions energy: -189.420
where: short stacking energy: -76.751
Base-Backbone interact. energy: -0.010
local terms energy: -79.928415
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -21.584
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: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -274.020597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.020597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.020597 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -73.810
Base-Backbone interact. energy: -0.513
local terms energy: -73.800072
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -260.568485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.568485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.568485 (E_RNA)
where:
Base-Base interactions energy: -182.775
where: short stacking energy: -72.151
Base-Backbone interact. energy: -0.017
local terms energy: -77.776546
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -21.611
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: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -256.723818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.723818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.723818 (E_RNA)
where:
Base-Base interactions energy: -190.368
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.094
local terms energy: -66.261372
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -203.767653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.767653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.767653 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.442
local terms energy: -64.275459
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -9.788
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: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -208.806410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.806410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.806410 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -51.331
Base-Backbone interact. energy: -0.409
local terms energy: -63.122162
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -177.687665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.687665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.687665 (E_RNA)
where:
Base-Base interactions energy: -109.083
where: short stacking energy: -56.442
Base-Backbone interact. energy: -0.003
local terms energy: -68.602085
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -14.620
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: 340
Temperature: 1.250000
Total energy: -205.102565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.102565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.102565 (E_RNA)
where:
Base-Base interactions energy: -144.811
where: short stacking energy: -55.452
Base-Backbone interact. energy: -0.410
local terms energy: -59.880796
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -92.220203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.220203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.220203 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -26.994
Base-Backbone interact. energy: -0.399
local terms energy: -50.327459
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -147.026987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.026987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.026987 (E_RNA)
where:
Base-Base interactions energy: -90.725
where: short stacking energy: -48.449
Base-Backbone interact. energy: -0.156
local terms energy: -56.145672
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -276.383382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.383382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.383382 (E_RNA)
where:
Base-Base interactions energy: -196.763
where: short stacking energy: -75.725
Base-Backbone interact. energy: -0.074
local terms energy: -79.545722
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -270.225152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.225152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.225152 (E_RNA)
where:
Base-Base interactions energy: -193.116
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.105
local terms energy: -77.004752
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -16.037
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -264.893855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.893855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.893855 (E_RNA)
where:
Base-Base interactions energy: -192.197
where: short stacking energy: -72.106
Base-Backbone interact. energy: -0.112
local terms energy: -72.584589
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -6.335
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: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -264.701534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.701534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.701534 (E_RNA)
where:
Base-Base interactions energy: -187.118
where: short stacking energy: -77.535
Base-Backbone interact. energy: -0.001
local terms energy: -77.582508
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -22.086
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: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -212.318136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318136 (E_RNA)
where:
Base-Base interactions energy: -148.585
where: short stacking energy: -62.219
Base-Backbone interact. energy: -0.241
local terms energy: -63.492899
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -180.345738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.345738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345738 (E_RNA)
where:
Base-Base interactions energy: -109.130
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.005
local terms energy: -71.210835
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -21.060
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: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -200.718263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.718263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.718263 (E_RNA)
where:
Base-Base interactions energy: -136.380
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.259
local terms energy: -64.079892
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -12.220
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: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -191.750081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.750081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.750081 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -57.299
Base-Backbone interact. energy: -0.425
local terms energy: -58.987056
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -108.189204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.189204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.189204 (E_RNA)
where:
Base-Base interactions energy: -64.902
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.207
local terms energy: -43.080327
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -150.220405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.220405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.220405 (E_RNA)
where:
Base-Base interactions energy: -88.782
where: short stacking energy: -44.367
Base-Backbone interact. energy: -0.139
local terms energy: -61.299525
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -268.127745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.127745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.127745 (E_RNA)
where:
Base-Base interactions energy: -180.252
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.653
local terms energy: -87.223141
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -270.943237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.943237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.943237 (E_RNA)
where:
Base-Base interactions energy: -191.964
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.003
local terms energy: -78.975863
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -22.440
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: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -255.608572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.608572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.608572 (E_RNA)
where:
Base-Base interactions energy: -174.749
where: short stacking energy: -72.274
Base-Backbone interact. energy: -1.041
local terms energy: -79.817806
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -254.074818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.074818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.074818 (E_RNA)
where:
Base-Base interactions energy: -176.356
where: short stacking energy: -73.245
Base-Backbone interact. energy: -0.847
local terms energy: -76.872431
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -7.867
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: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -202.556646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.556646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.556646 (E_RNA)
where:
Base-Base interactions energy: -142.095
where: short stacking energy: -51.749
Base-Backbone interact. energy: -0.486
local terms energy: -59.975444
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -160.776433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.776433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.776433 (E_RNA)
where:
Base-Base interactions energy: -102.523
where: short stacking energy: -56.255
Base-Backbone interact. energy: -1.067
local terms energy: -57.186631
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -201.339151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.339151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.339151 (E_RNA)
where:
Base-Base interactions energy: -136.996
where: short stacking energy: -48.932
Base-Backbone interact. energy: -0.352
local terms energy: -63.991060
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -9.586
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: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -204.712507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.712507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.712507 (E_RNA)
where:
Base-Base interactions energy: -139.542
where: short stacking energy: -51.341
Base-Backbone interact. energy: -1.070
local terms energy: -64.101142
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -12.600
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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -141.534190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.534190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.534190 (E_RNA)
where:
Base-Base interactions energy: -85.190
where: short stacking energy: -38.256
Base-Backbone interact. energy: -0.418
local terms energy: -55.926874
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -94.729257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.729257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.729257 (E_RNA)
where:
Base-Base interactions energy: -40.400
where: short stacking energy: -37.288
Base-Backbone interact. energy: 0.032
local terms energy: -54.362113
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -271.381444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.381444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.381444 (E_RNA)
where:
Base-Base interactions energy: -192.534
where: short stacking energy: -84.127
Base-Backbone interact. energy: -0.233
local terms energy: -78.615077
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -22.986
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: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -270.627068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.627068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.627068 (E_RNA)
where:
Base-Base interactions energy: -199.453
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.195
local terms energy: -70.978536
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -16.378
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: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -268.224718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.224718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.224718 (E_RNA)
where:
Base-Base interactions energy: -182.192
where: short stacking energy: -81.226
Base-Backbone interact. energy: -0.950
local terms energy: -85.082530
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -23.326
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: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -261.169663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.169663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.169663 (E_RNA)
where:
Base-Base interactions energy: -183.492
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.007
local terms energy: -77.670667
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -212.394583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.394583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.394583 (E_RNA)
where:
Base-Base interactions energy: -149.332
where: short stacking energy: -54.549
Base-Backbone interact. energy: 0.207
local terms energy: -63.269806
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -222.631067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.631067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.631067 (E_RNA)
where:
Base-Base interactions energy: -151.588
where: short stacking energy: -54.455
Base-Backbone interact. energy: -1.507
local terms energy: -69.536433
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -10.525
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)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -160.064820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.064820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.064820 (E_RNA)
where:
Base-Base interactions energy: -99.832
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.072
local terms energy: -60.160951
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -194.362821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.362821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362821 (E_RNA)
where:
Base-Base interactions energy: -131.185
where: short stacking energy: -47.116
Base-Backbone interact. energy: -1.000
local terms energy: -62.177375
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -142.867739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.867739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.867739 (E_RNA)
where:
Base-Base interactions energy: -91.887
where: short stacking energy: -47.065
Base-Backbone interact. energy: -0.146
local terms energy: -50.834399
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -5.358
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: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -88.048407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.048407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.048407 (E_RNA)
where:
Base-Base interactions energy: -30.010
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.218
local terms energy: -57.820606
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -272.134601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.134601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.134601 (E_RNA)
where:
Base-Base interactions energy: -198.243
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.180
local terms energy: -73.711670
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -264.477808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.477808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.477808 (E_RNA)
where:
Base-Base interactions energy: -182.665
where: short stacking energy: -77.866
Base-Backbone interact. energy: -0.374
local terms energy: -81.439258
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -21.237
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: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -261.586183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.586183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.586183 (E_RNA)
where:
Base-Base interactions energy: -179.043
where: short stacking energy: -72.081
Base-Backbone interact. energy: -0.741
local terms energy: -81.802739
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -262.898401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.898401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.898401 (E_RNA)
where:
Base-Base interactions energy: -188.492
where: short stacking energy: -70.769
Base-Backbone interact. energy: -0.010
local terms energy: -74.396421
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -19.874
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: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -229.127319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127319 (E_RNA)
where:
Base-Base interactions energy: -166.642
where: short stacking energy: -71.270
Base-Backbone interact. energy: -0.276
local terms energy: -62.210007
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -216.475588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.475588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.475588 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.836
local terms energy: -68.208410
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -208.815896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.815896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.815896 (E_RNA)
where:
Base-Base interactions energy: -144.261
where: short stacking energy: -48.955
Base-Backbone interact. energy: -1.586
local terms energy: -62.968660
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -155.147732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.147732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.147732 (E_RNA)
where:
Base-Base interactions energy: -89.464
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.838
local terms energy: -64.845871
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -79.762206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.762206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.762206 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -33.159
Base-Backbone interact. energy: -0.247
local terms energy: -45.296864
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -121.172361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.172361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.172361 (E_RNA)
where:
Base-Base interactions energy: -71.936
where: short stacking energy: -40.704
Base-Backbone interact. energy: -0.068
local terms energy: -49.169209
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: 0.724
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -279.515171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.515171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.515171 (E_RNA)
where:
Base-Base interactions energy: -210.307
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.057
local terms energy: -69.151762
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -7.968
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: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -261.519995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.519995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.519995 (E_RNA)
where:
Base-Base interactions energy: -182.359
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.021
local terms energy: -79.140046
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -258.125959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.125959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.125959 (E_RNA)
where:
Base-Base interactions energy: -181.415
where: short stacking energy: -72.775
Base-Backbone interact. energy: -1.248
local terms energy: -75.463438
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -20.398
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: 345
Temperature: 1.050000
Total energy: -225.789426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.789426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.789426 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -67.790
Base-Backbone interact. energy: -1.290
local terms energy: -73.131318
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -242.431634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.431634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.431634 (E_RNA)
where:
Base-Base interactions energy: -176.493
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.295
local terms energy: -65.643820
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -211.123193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.123193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.123193 (E_RNA)
where:
Base-Base interactions energy: -150.884
where: short stacking energy: -63.982
Base-Backbone interact. energy: -0.046
local terms energy: -60.193721
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -11.059
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)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -214.697693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.697693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.697693 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -53.693
Base-Backbone interact. energy: -0.621
local terms energy: -67.359884
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -158.138541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.138541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.138541 (E_RNA)
where:
Base-Base interactions energy: -102.974
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.243
local terms energy: -54.921416
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -10.617
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -90.663101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663101 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.757
local terms energy: -50.099044
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -89.686909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686909 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -17.275
Base-Backbone interact. energy: -0.286
local terms energy: -58.234749
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -0.834
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: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -275.817194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.817194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.817194 (E_RNA)
where:
Base-Base interactions energy: -188.999
where: short stacking energy: -84.704
Base-Backbone interact. energy: -0.777
local terms energy: -86.040979
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -276.402978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.402978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.402978 (E_RNA)
where:
Base-Base interactions energy: -199.729
where: short stacking energy: -82.951
Base-Backbone interact. energy: -0.047
local terms energy: -76.627859
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -22.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -256.021666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.021666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.021666 (E_RNA)
where:
Base-Base interactions energy: -180.205
where: short stacking energy: -71.891
Base-Backbone interact. energy: -0.824
local terms energy: -74.992538
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -12.628
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: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -228.421291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.421291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.421291 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -64.503
Base-Backbone interact. energy: -0.150
local terms energy: -74.645738
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -247.266990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.266990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.266990 (E_RNA)
where:
Base-Base interactions energy: -178.364
where: short stacking energy: -63.463
Base-Backbone interact. energy: 0.122
local terms energy: -69.024833
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -204.573641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.573641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.573641 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.338
local terms energy: -66.863653
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -12.814
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: 346
Temperature: 1.200000
Total energy: -217.507212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507212 (E_RNA)
where:
Base-Base interactions energy: -152.931
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.246
local terms energy: -64.329776
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -14.077
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: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -151.842479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.842479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.842479 (E_RNA)
where:
Base-Base interactions energy: -92.216
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.796
local terms energy: -58.830694
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -4.358
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: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -94.811892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.811892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.811892 (E_RNA)
where:
Base-Base interactions energy: -39.453
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.284
local terms energy: -55.074915
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -110.792413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.792413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.792413 (E_RNA)
where:
Base-Base interactions energy: -51.183
where: short stacking energy: -50.750
Base-Backbone interact. energy: -0.060
local terms energy: -59.549677
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -271.184880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.184880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.184880 (E_RNA)
where:
Base-Base interactions energy: -183.144
where: short stacking energy: -77.035
Base-Backbone interact. energy: -0.905
local terms energy: -87.135599
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -268.226666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.226666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.226666 (E_RNA)
where:
Base-Base interactions energy: -192.159
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.040
local terms energy: -76.028275
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -20.954
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: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -255.862039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.862039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.862039 (E_RNA)
where:
Base-Base interactions energy: -183.200
where: short stacking energy: -69.765
Base-Backbone interact. energy: -0.474
local terms energy: -72.187511
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -251.884620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.884620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.884620 (E_RNA)
where:
Base-Base interactions energy: -175.339
where: short stacking energy: -74.008
Base-Backbone interact. energy: -0.056
local terms energy: -76.489120
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -11.473
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: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -212.044817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.044817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.044817 (E_RNA)
where:
Base-Base interactions energy: -147.305
where: short stacking energy: -56.082
Base-Backbone interact. energy: -0.450
local terms energy: -64.290310
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -208.804135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.804135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.804135 (E_RNA)
where:
Base-Base interactions energy: -143.032
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.291
local terms energy: -65.481344
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -210.399394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399394 (E_RNA)
where:
Base-Base interactions energy: -143.849
where: short stacking energy: -63.228
Base-Backbone interact. energy: 2.228
local terms energy: -68.778149
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -16.983
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: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -154.969971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.969971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.969971 (E_RNA)
where:
Base-Base interactions energy: -93.165
where: short stacking energy: -48.416
Base-Backbone interact. energy: -1.159
local terms energy: -60.645441
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -81.685210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.685210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.685210 (E_RNA)
where:
Base-Base interactions energy: -34.913
where: short stacking energy: -34.913
Base-Backbone interact. energy: -0.431
local terms energy: -46.342061
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -81.603439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.603439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.603439 (E_RNA)
where:
Base-Base interactions energy: -36.725
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.294
local terms energy: -44.584608
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -276.815779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.815779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.815779 (E_RNA)
where:
Base-Base interactions energy: -198.333
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.103
local terms energy: -78.380072
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.814
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: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -269.563296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.563296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.563296 (E_RNA)
where:
Base-Base interactions energy: -187.203
where: short stacking energy: -79.289
Base-Backbone interact. energy: -0.959
local terms energy: -81.401205
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -262.962975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.962975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.962975 (E_RNA)
where:
Base-Base interactions energy: -185.073
where: short stacking energy: -79.348
Base-Backbone interact. energy: -1.155
local terms energy: -76.734712
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -250.761113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.761113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.761113 (E_RNA)
where:
Base-Base interactions energy: -179.435
where: short stacking energy: -74.651
Base-Backbone interact. energy: -1.193
local terms energy: -70.132846
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -216.475906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.475906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.475906 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -65.904
Base-Backbone interact. energy: -0.118
local terms energy: -64.643113
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -208.311145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.311145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.311145 (E_RNA)
where:
Base-Base interactions energy: -148.250
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.433
local terms energy: -59.628098
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -208.850645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.850645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.850645 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -63.661
Base-Backbone interact. energy: -0.165
local terms energy: -68.756783
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -1.479
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -166.274692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.274692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.274692 (E_RNA)
where:
Base-Base interactions energy: -97.820
where: short stacking energy: -51.885
Base-Backbone interact. energy: -0.040
local terms energy: -68.414413
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -85.037805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037805 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.209
local terms energy: -55.019316
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -3.028
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: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -88.818509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.818509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.818509 (E_RNA)
where:
Base-Base interactions energy: -45.987
where: short stacking energy: -32.308
Base-Backbone interact. energy: 0.034
local terms energy: -42.866011
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -2.396
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: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -271.016964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.016964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.016964 (E_RNA)
where:
Base-Base interactions energy: -198.711
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.056
local terms energy: -72.249599
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -20.697
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: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -262.011491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.011491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.011491 (E_RNA)
where:
Base-Base interactions energy: -181.470
where: short stacking energy: -74.028
Base-Backbone interact. energy: -0.237
local terms energy: -80.304503
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -257.972458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.972458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.972458 (E_RNA)
where:
Base-Base interactions energy: -185.877
where: short stacking energy: -75.372
Base-Backbone interact. energy: -0.021
local terms energy: -72.074808
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -260.374882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.374882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.374882 (E_RNA)
where:
Base-Base interactions energy: -180.113
where: short stacking energy: -71.716
Base-Backbone interact. energy: -1.288
local terms energy: -78.973906
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -225.268217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.268217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.268217 (E_RNA)
where:
Base-Base interactions energy: -150.855
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.207
local terms energy: -74.206122
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -211.678240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.678240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.678240 (E_RNA)
where:
Base-Base interactions energy: -147.327
where: short stacking energy: -53.913
Base-Backbone interact. energy: 1.089
local terms energy: -65.440205
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -11.755
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: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -204.362957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.362957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.362957 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -58.605
Base-Backbone interact. energy: -0.816
local terms energy: -59.513405
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -11.980
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: 349
Temperature: 1.250000
Total energy: -136.235210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.235210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.235210 (E_RNA)
where:
Base-Base interactions energy: -77.239
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.680
local terms energy: -58.316453
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -87.461993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.461993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.461993 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.063
local terms energy: -51.051519
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -85.536294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.536294 (E_RNA)
where:
Base-Base interactions energy: -25.909
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.052
local terms energy: -59.574516
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -274.133453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.133453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.133453 (E_RNA)
where:
Base-Base interactions energy: -198.089
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.060
local terms energy: -75.984905
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -21.521
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: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -256.609921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.609921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.609921 (E_RNA)
where:
Base-Base interactions energy: -177.606
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.310
local terms energy: -78.693911
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -266.458402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.458402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.458402 (E_RNA)
where:
Base-Base interactions energy: -178.134
where: short stacking energy: -74.855
Base-Backbone interact. energy: -1.757
local terms energy: -86.567922
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -260.282174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.282174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.282174 (E_RNA)
where:
Base-Base interactions energy: -184.283
where: short stacking energy: -68.690
Base-Backbone interact. energy: -0.047
local terms energy: -75.952759
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -20.245
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: 350
Temperature: 1.100000
Total energy: -216.151357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151357 (E_RNA)
where:
Base-Base interactions energy: -142.881
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.038
local terms energy: -73.232221
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -222.146568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.146568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.146568 (E_RNA)
where:
Base-Base interactions energy: -154.700
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.163
local terms energy: -67.283232
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -14.638
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: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -211.852010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.852010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.852010 (E_RNA)
where:
Base-Base interactions energy: -144.016
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.182
local terms energy: -67.654437
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -15.615
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: 350
Temperature: 1.250000
Total energy: -139.816344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.816344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.816344 (E_RNA)
where:
Base-Base interactions energy: -85.033
where: short stacking energy: -41.361
Base-Backbone interact. energy: -0.039
local terms energy: -54.745241
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -2.343
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: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -92.567914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.567914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.567914 (E_RNA)
where:
Base-Base interactions energy: -30.072
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.133
local terms energy: -62.362558
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -80.845666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.845666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.845666 (E_RNA)
where:
Base-Base interactions energy: -31.709
where: short stacking energy: -14.736
Base-Backbone interact. energy: -0.199
local terms energy: -48.937414
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.328
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: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -266.643585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.643585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.643585 (E_RNA)
where:
Base-Base interactions energy: -187.158
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.156
local terms energy: -79.329577
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -267.561912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.561912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.561912 (E_RNA)
where:
Base-Base interactions energy: -195.801
where: short stacking energy: -79.012
Base-Backbone interact. energy: -0.043
local terms energy: -71.717876
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -4.756
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: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -249.807818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.807818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.807818 (E_RNA)
where:
Base-Base interactions energy: -171.918
where: short stacking energy: -71.235
Base-Backbone interact. energy: -0.052
local terms energy: -77.837611
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -259.275709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.275709 (E_RNA)
where:
Base-Base interactions energy: -178.555
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.069
local terms energy: -80.651805
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -19.171
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: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -219.089284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.089284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.089284 (E_RNA)
where:
Base-Base interactions energy: -150.179
where: short stacking energy: -59.226
Base-Backbone interact. energy: -0.237
local terms energy: -68.672448
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -204.378721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.378721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.378721 (E_RNA)
where:
Base-Base interactions energy: -136.951
where: short stacking energy: -50.143
Base-Backbone interact. energy: -0.232
local terms energy: -67.195047
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -211.696791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.696791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.696791 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.309
local terms energy: -63.129026
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -13.030
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: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -151.152818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.152818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.152818 (E_RNA)
where:
Base-Base interactions energy: -87.337
where: short stacking energy: -43.055
Base-Backbone interact. energy: -0.079
local terms energy: -63.736520
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -8.271
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -87.871712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.871712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.871712 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -27.019
Base-Backbone interact. energy: -1.290
local terms energy: -51.906898
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -83.162402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.162402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.162402 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -30.788
Base-Backbone interact. energy: -0.125
local terms energy: -50.458810
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -268.459084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.459084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.459084 (E_RNA)
where:
Base-Base interactions energy: -182.996
where: short stacking energy: -72.855
Base-Backbone interact. energy: -1.532
local terms energy: -83.931240
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -266.787043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.787043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.787043 (E_RNA)
where:
Base-Base interactions energy: -188.854
where: short stacking energy: -76.019
Base-Backbone interact. energy: -0.145
local terms energy: -77.787930
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -23.387
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: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -264.513120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.513120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.513120 (E_RNA)
where:
Base-Base interactions energy: -180.402
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.020
local terms energy: -84.091222
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -259.775910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.775910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.775910 (E_RNA)
where:
Base-Base interactions energy: -187.558
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.029
local terms energy: -72.188537
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -16.861
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -228.683761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.683761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.683761 (E_RNA)
where:
Base-Base interactions energy: -152.813
where: short stacking energy: -68.343
Base-Backbone interact. energy: -0.593
local terms energy: -75.278207
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.366
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: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -221.499210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499210 (E_RNA)
where:
Base-Base interactions energy: -151.303
where: short stacking energy: -60.106
Base-Backbone interact. energy: 0.246
local terms energy: -70.441775
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -14.277
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -202.331194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.331194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.331194 (E_RNA)
where:
Base-Base interactions energy: -137.007
where: short stacking energy: -48.052
Base-Backbone interact. energy: -0.731
local terms energy: -64.593256
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -10.385
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: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -156.855218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.855218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.855218 (E_RNA)
where:
Base-Base interactions energy: -92.468
where: short stacking energy: -45.088
Base-Backbone interact. energy: 0.582
local terms energy: -64.969651
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -1.940
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: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -125.532246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.532246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.532246 (E_RNA)
where:
Base-Base interactions energy: -68.529
where: short stacking energy: -43.682
Base-Backbone interact. energy: -0.049
local terms energy: -56.954241
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -11.651
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -75.211612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.211612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.211612 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -21.798
Base-Backbone interact. energy: 5.305
local terms energy: -47.742913
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -0.414
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -270.227402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.227402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.227402 (E_RNA)
where:
Base-Base interactions energy: -193.191
where: short stacking energy: -75.465
Base-Backbone interact. energy: -1.284
local terms energy: -75.752421
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -261.370694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.370694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.370694 (E_RNA)
where:
Base-Base interactions energy: -181.296
where: short stacking energy: -76.739
Base-Backbone interact. energy: -0.399
local terms energy: -79.675271
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -20.369
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: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -261.117167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.117167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.117167 (E_RNA)
where:
Base-Base interactions energy: -184.496
where: short stacking energy: -71.310
Base-Backbone interact. energy: -1.319
local terms energy: -75.302406
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -252.672852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.672852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.672852 (E_RNA)
where:
Base-Base interactions energy: -176.849
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.011
local terms energy: -75.813262
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -21.942
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: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -223.427663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.427663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.427663 (E_RNA)
where:
Base-Base interactions energy: -148.698
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.077
local terms energy: -74.653467
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -220.327026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.327026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327026 (E_RNA)
where:
Base-Base interactions energy: -154.673
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.218
local terms energy: -65.435736
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -14.127
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: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -197.126071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.126071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.126071 (E_RNA)
where:
Base-Base interactions energy: -144.509
where: short stacking energy: -58.510
Base-Backbone interact. energy: 2.048
local terms energy: -54.665323
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -154.480683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.480683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.480683 (E_RNA)
where:
Base-Base interactions energy: -95.085
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.225
local terms energy: -59.170579
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -5.528
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -149.772031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.772031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.772031 (E_RNA)
where:
Base-Base interactions energy: -90.545
where: short stacking energy: -37.995
Base-Backbone interact. energy: -0.378
local terms energy: -58.849642
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -78.174602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.174602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.174602 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -20.661
Base-Backbone interact. energy: -0.602
local terms energy: -50.092032
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -262.919505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.919505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.919505 (E_RNA)
where:
Base-Base interactions energy: -184.071
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.114
local terms energy: -78.735080
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -17.340
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: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -268.147601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.147601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.147601 (E_RNA)
where:
Base-Base interactions energy: -185.413
where: short stacking energy: -78.100
Base-Backbone interact. energy: -1.164
local terms energy: -81.570406
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -262.499958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.499958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.499958 (E_RNA)
where:
Base-Base interactions energy: -192.557
where: short stacking energy: -73.901
Base-Backbone interact. energy: -0.037
local terms energy: -69.905919
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -256.910833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.910833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.910833 (E_RNA)
where:
Base-Base interactions energy: -179.405
where: short stacking energy: -70.850
Base-Backbone interact. energy: -0.001
local terms energy: -77.505020
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -21.922
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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -231.974505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.974505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.974505 (E_RNA)
where:
Base-Base interactions energy: -158.763
where: short stacking energy: -69.751
Base-Backbone interact. energy: -0.303
local terms energy: -72.908876
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -221.122906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.122906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.122906 (E_RNA)
where:
Base-Base interactions energy: -148.796
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.095
local terms energy: -72.231655
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -197.641522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.641522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.641522 (E_RNA)
where:
Base-Base interactions energy: -129.255
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.323
local terms energy: -68.063316
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -153.899927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.899927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.899927 (E_RNA)
where:
Base-Base interactions energy: -103.438
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.152
local terms energy: -50.310214
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -3.793
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -7.202
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: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -139.438376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.438376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.438376 (E_RNA)
where:
Base-Base interactions energy: -90.039
where: short stacking energy: -35.110
Base-Backbone interact. energy: -1.252
local terms energy: -48.146829
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -1.407
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: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -138.823494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.823494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.823494 (E_RNA)
where:
Base-Base interactions energy: -88.282
where: short stacking energy: -37.100
Base-Backbone interact. energy: -0.289
local terms energy: -50.251600
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -273.896540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.896540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.896540 (E_RNA)
where:
Base-Base interactions energy: -189.086
where: short stacking energy: -82.645
Base-Backbone interact. energy: -0.002
local terms energy: -84.808064
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -267.472173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.472173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.472173 (E_RNA)
where:
Base-Base interactions energy: -183.518
where: short stacking energy: -74.022
Base-Backbone interact. energy: -0.062
local terms energy: -83.892235
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -22.697
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: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -261.909571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.909571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.909571 (E_RNA)
where:
Base-Base interactions energy: -184.365
where: short stacking energy: -75.393
Base-Backbone interact. energy: -0.723
local terms energy: -76.821565
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -232.341431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.341431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.341431 (E_RNA)
where:
Base-Base interactions energy: -162.275
where: short stacking energy: -66.336
Base-Backbone interact. energy: -1.899
local terms energy: -68.167210
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -17.257
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: 355
Temperature: 1.100000
Total energy: -250.611075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.611075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.611075 (E_RNA)
where:
Base-Base interactions energy: -178.484
where: short stacking energy: -74.554
Base-Backbone interact. energy: -0.195
local terms energy: -71.931685
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -217.449011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.449011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.449011 (E_RNA)
where:
Base-Base interactions energy: -152.597
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.239
local terms energy: -64.613641
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -218.687452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.687452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.687452 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.754
local terms energy: -61.634324
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -169.612591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.612591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.612591 (E_RNA)
where:
Base-Base interactions energy: -113.912
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.108
local terms energy: -55.592638
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -9.553
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: 355
Temperature: 1.300000
Total energy: -178.413916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.413916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.413916 (E_RNA)
where:
Base-Base interactions energy: -107.659
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.339
local terms energy: -70.415927
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -14.832
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: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -157.733874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.733874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.733874 (E_RNA)
where:
Base-Base interactions energy: -100.172
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.033
local terms energy: -57.528268
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -270.562961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.562961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.562961 (E_RNA)
where:
Base-Base interactions energy: -182.438
where: short stacking energy: -77.808
Base-Backbone interact. energy: -1.181
local terms energy: -86.944274
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -22.285
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: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -263.527020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.527020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.527020 (E_RNA)
where:
Base-Base interactions energy: -195.291
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.030
local terms energy: -68.205658
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -263.237806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.237806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.237806 (E_RNA)
where:
Base-Base interactions energy: -186.579
where: short stacking energy: -76.773
Base-Backbone interact. energy: -1.153
local terms energy: -75.505566
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -17.771
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: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -215.137390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.137390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.137390 (E_RNA)
where:
Base-Base interactions energy: -141.825
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.479
local terms energy: -72.834049
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -11.692
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: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -248.238114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.238114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.238114 (E_RNA)
where:
Base-Base interactions energy: -172.253
where: short stacking energy: -66.619
Base-Backbone interact. energy: -0.587
local terms energy: -75.397949
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -217.049024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.049024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.049024 (E_RNA)
where:
Base-Base interactions energy: -156.633
where: short stacking energy: -62.830
Base-Backbone interact. energy: 3.908
local terms energy: -64.323672
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -205.282127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.282127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.282127 (E_RNA)
where:
Base-Base interactions energy: -141.592
where: short stacking energy: -51.993
Base-Backbone interact. energy: 1.061
local terms energy: -64.750845
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -10.132
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: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -158.879255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.879255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.879255 (E_RNA)
where:
Base-Base interactions energy: -97.904
where: short stacking energy: -44.480
Base-Backbone interact. energy: 0.514
local terms energy: -61.489836
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -144.463994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.463994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.463994 (E_RNA)
where:
Base-Base interactions energy: -93.704
where: short stacking energy: -38.667
Base-Backbone interact. energy: -0.303
local terms energy: -50.456467
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -149.725052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.725052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.725052 (E_RNA)
where:
Base-Base interactions energy: -101.167
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.218
local terms energy: -48.339773
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -266.078367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.078367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.078367 (E_RNA)
where:
Base-Base interactions energy: -190.652
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.260
local terms energy: -75.166442
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -257.525736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.525736 (E_RNA)
where:
Base-Base interactions energy: -177.074
where: short stacking energy: -70.664
Base-Backbone interact. energy: -1.279
local terms energy: -79.172781
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -261.298752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.298752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.298752 (E_RNA)
where:
Base-Base interactions energy: -179.230
where: short stacking energy: -74.044
Base-Backbone interact. energy: -1.688
local terms energy: -80.380939
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -24.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -259.820745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.820745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.820745 (E_RNA)
where:
Base-Base interactions energy: -179.043
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.414
local terms energy: -80.364012
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -21.511
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: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -226.678246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.678246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.678246 (E_RNA)
where:
Base-Base interactions energy: -151.651
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.303
local terms energy: -74.723956
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -208.392402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.392402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.392402 (E_RNA)
where:
Base-Base interactions energy: -134.497
where: short stacking energy: -64.002
Base-Backbone interact. energy: 0.848
local terms energy: -74.743289
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -15.489
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: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -222.047745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.047745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.047745 (E_RNA)
where:
Base-Base interactions energy: -156.686
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.733
local terms energy: -64.629089
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -154.871967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.871967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.871967 (E_RNA)
where:
Base-Base interactions energy: -98.937
where: short stacking energy: -50.055
Base-Backbone interact. energy: 1.303
local terms energy: -57.237947
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -162.353142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.353142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.353142 (E_RNA)
where:
Base-Base interactions energy: -94.987
where: short stacking energy: -50.269
Base-Backbone interact. energy: -0.105
local terms energy: -67.261193
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -130.702322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.702322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.702322 (E_RNA)
where:
Base-Base interactions energy: -84.431
where: short stacking energy: -35.305
Base-Backbone interact. energy: -0.172
local terms energy: -46.099446
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -261.138942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.138942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.138942 (E_RNA)
where:
Base-Base interactions energy: -184.901
where: short stacking energy: -75.969
Base-Backbone interact. energy: -2.121
local terms energy: -74.116650
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -17.308
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: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -253.765713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.765713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.765713 (E_RNA)
where:
Base-Base interactions energy: -177.331
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.060
local terms energy: -76.373909
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -16.783
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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -261.100544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.100544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.100544 (E_RNA)
where:
Base-Base interactions energy: -173.152
where: short stacking energy: -72.228
Base-Backbone interact. energy: -1.706
local terms energy: -86.242070
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -251.715956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.715956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.715956 (E_RNA)
where:
Base-Base interactions energy: -179.600
where: short stacking energy: -73.728
Base-Backbone interact. energy: -0.005
local terms energy: -72.111320
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -213.798424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798424 (E_RNA)
where:
Base-Base interactions energy: -144.369
where: short stacking energy: -60.221
Base-Backbone interact. energy: -0.248
local terms energy: -69.181412
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -201.053253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.053253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.053253 (E_RNA)
where:
Base-Base interactions energy: -134.392
where: short stacking energy: -54.755
Base-Backbone interact. energy: -0.282
local terms energy: -66.379795
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -221.546144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.546144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.546144 (E_RNA)
where:
Base-Base interactions energy: -149.377
where: short stacking energy: -58.792
Base-Backbone interact. energy: -1.938
local terms energy: -70.230506
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -15.643
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: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -151.429291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.429291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.429291 (E_RNA)
where:
Base-Base interactions energy: -98.519
where: short stacking energy: -51.768
Base-Backbone interact. energy: -0.921
local terms energy: -51.989859
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.892
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: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -112.207626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.207626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.207626 (E_RNA)
where:
Base-Base interactions energy: -67.129
where: short stacking energy: -36.707
Base-Backbone interact. energy: -0.122
local terms energy: -44.956549
where:
bonds (distance) C4'-P energy: -4.878
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -152.489960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.489960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.489960 (E_RNA)
where:
Base-Base interactions energy: -92.878
where: short stacking energy: -51.375
Base-Backbone interact. energy: -0.052
local terms energy: -59.560737
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -269.346890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.346890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.346890 (E_RNA)
where:
Base-Base interactions energy: -191.463
where: short stacking energy: -78.167
Base-Backbone interact. energy: -1.351
local terms energy: -76.533457
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -18.062
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: 359
Temperature: 0.950000
Total energy: -263.878501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.878501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.878501 (E_RNA)
where:
Base-Base interactions energy: -185.916
where: short stacking energy: -69.604
Base-Backbone interact. energy: 0.175
local terms energy: -78.136746
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -260.647824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.647824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.647824 (E_RNA)
where:
Base-Base interactions energy: -186.409
where: short stacking energy: -75.074
Base-Backbone interact. energy: -0.263
local terms energy: -73.975488
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -223.355799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.355799 (E_RNA)
where:
Base-Base interactions energy: -148.809
where: short stacking energy: -59.358
Base-Backbone interact. energy: 0.247
local terms energy: -74.794005
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -14.676
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: 359
Temperature: 1.100000
Total energy: -262.718384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.718384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.718384 (E_RNA)
where:
Base-Base interactions energy: -181.517
where: short stacking energy: -77.243
Base-Backbone interact. energy: 0.334
local terms energy: -81.534748
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -18.808
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: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -218.431180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.431180 (E_RNA)
where:
Base-Base interactions energy: -150.902
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.667
local terms energy: -66.861553
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -12.282
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: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -214.792909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792909 (E_RNA)
where:
Base-Base interactions energy: -151.434
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.353
local terms energy: -63.006257
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -86.529051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.529051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.529051 (E_RNA)
where:
Base-Base interactions energy: -41.418
where: short stacking energy: -23.312
Base-Backbone interact. energy: 1.394
local terms energy: -46.505517
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -147.146654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.146654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.146654 (E_RNA)
where:
Base-Base interactions energy: -93.635
where: short stacking energy: -42.417
Base-Backbone interact. energy: 0.024
local terms energy: -53.535822
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -5.040
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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -156.470581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.470581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.470581 (E_RNA)
where:
Base-Base interactions energy: -102.829
where: short stacking energy: -51.592
Base-Backbone interact. energy: 0.720
local terms energy: -54.361263
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -11.753
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: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -271.059109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.059109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.059109 (E_RNA)
where:
Base-Base interactions energy: -189.151
where: short stacking energy: -71.089
Base-Backbone interact. energy: -0.141
local terms energy: -81.767535
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -18.585
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -264.136654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.136654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.136654 (E_RNA)
where:
Base-Base interactions energy: -181.670
where: short stacking energy: -72.988
Base-Backbone interact. energy: -0.251
local terms energy: -82.215490
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -20.121
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: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -267.831338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.831338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.831338 (E_RNA)
where:
Base-Base interactions energy: -184.047
where: short stacking energy: -76.221
Base-Backbone interact. energy: -0.904
local terms energy: -82.881036
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -228.925658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.925658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.925658 (E_RNA)
where:
Base-Base interactions energy: -155.467
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.974
local terms energy: -72.484498
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -11.721
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: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -258.809918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.809918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.809918 (E_RNA)
where:
Base-Base interactions energy: -178.601
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.378
local terms energy: -79.830963
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -215.724718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.724718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.724718 (E_RNA)
where:
Base-Base interactions energy: -145.748
where: short stacking energy: -57.079
Base-Backbone interact. energy: -0.509
local terms energy: -69.467486
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -188.895736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.895736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.895736 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -49.505
Base-Backbone interact. energy: 2.371
local terms energy: -67.077511
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -88.445560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.445560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.445560 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -36.707
Base-Backbone interact. energy: 1.186
local terms energy: -45.578127
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -1.600
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: 360
Temperature: 1.300000
Total energy: -161.212142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.212142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.212142 (E_RNA)
where:
Base-Base interactions energy: -95.080
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.673
local terms energy: -65.458973
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -141.425949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.425949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.425949 (E_RNA)
where:
Base-Base interactions energy: -88.540
where: short stacking energy: -47.302
Base-Backbone interact. energy: 0.115
local terms energy: -53.000962
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -255.877302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.877302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.877302 (E_RNA)
where:
Base-Base interactions energy: -182.554
where: short stacking energy: -68.841
Base-Backbone interact. energy: -0.500
local terms energy: -72.823219
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -265.121878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.121878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.121878 (E_RNA)
where:
Base-Base interactions energy: -186.803
where: short stacking energy: -74.204
Base-Backbone interact. energy: -1.241
local terms energy: -77.077765
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -245.995728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.995728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.995728 (E_RNA)
where:
Base-Base interactions energy: -187.091
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.063
local terms energy: -58.841360
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -247.333145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.333145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.333145 (E_RNA)
where:
Base-Base interactions energy: -173.966
where: short stacking energy: -74.299
Base-Backbone interact. energy: -1.043
local terms energy: -72.323843
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -20.235
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -215.817180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.817180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.817180 (E_RNA)
where:
Base-Base interactions energy: -142.322
where: short stacking energy: -61.510
Base-Backbone interact. energy: 0.125
local terms energy: -73.620565
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -207.612654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.612654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.612654 (E_RNA)
where:
Base-Base interactions energy: -139.563
where: short stacking energy: -59.018
Base-Backbone interact. energy: -1.702
local terms energy: -66.347525
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -203.728627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.728627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.728627 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -52.470
Base-Backbone interact. energy: -0.197
local terms energy: -56.325730
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -158.585391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.585391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.585391 (E_RNA)
where:
Base-Base interactions energy: -96.896
where: short stacking energy: -48.425
Base-Backbone interact. energy: -0.343
local terms energy: -61.346408
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -6.202
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: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -110.902616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.902616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.902616 (E_RNA)
where:
Base-Base interactions energy: -44.928
where: short stacking energy: -44.928
Base-Backbone interact. energy: -0.006
local terms energy: -65.969462
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -83.382062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.382062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.382062 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.205
local terms energy: -52.149641
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -255.331753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.331753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.331753 (E_RNA)
where:
Base-Base interactions energy: -177.690
where: short stacking energy: -67.670
Base-Backbone interact. energy: -0.501
local terms energy: -77.140697
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -15.626
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -259.214989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.214989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.214989 (E_RNA)
where:
Base-Base interactions energy: -182.187
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.148
local terms energy: -76.879437
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -13.901
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: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -259.635741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.635741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.635741 (E_RNA)
where:
Base-Base interactions energy: -180.092
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.313
local terms energy: -79.230732
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -256.010066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.010066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.010066 (E_RNA)
where:
Base-Base interactions energy: -174.324
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.137
local terms energy: -81.549341
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -215.710056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.710056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.710056 (E_RNA)
where:
Base-Base interactions energy: -149.833
where: short stacking energy: -45.871
Base-Backbone interact. energy: -0.901
local terms energy: -64.975452
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -7.292
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: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -215.422328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.422328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.422328 (E_RNA)
where:
Base-Base interactions energy: -143.423
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.346
local terms energy: -71.653331
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -16.708
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: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -177.350870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.350870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.350870 (E_RNA)
where:
Base-Base interactions energy: -108.337
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.514
local terms energy: -68.500267
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -203.906210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.906210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.906210 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -59.876
Base-Backbone interact. energy: -1.168
local terms energy: -59.824356
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -102.653422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.653422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.653422 (E_RNA)
where:
Base-Base interactions energy: -56.213
where: short stacking energy: -27.017
Base-Backbone interact. energy: -1.133
local terms energy: -45.307035
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: 2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -98.363453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.363453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.363453 (E_RNA)
where:
Base-Base interactions energy: -60.202
where: short stacking energy: -32.202
Base-Backbone interact. energy: 1.332
local terms energy: -39.493658
where:
bonds (distance) C4'-P energy: -4.448
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -262.689288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.689288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.689288 (E_RNA)
where:
Base-Base interactions energy: -183.294
where: short stacking energy: -69.923
Base-Backbone interact. energy: -1.379
local terms energy: -78.016137
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -258.114184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.114184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.114184 (E_RNA)
where:
Base-Base interactions energy: -185.858
where: short stacking energy: -70.416
Base-Backbone interact. energy: -1.197
local terms energy: -71.058695
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -251.170902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.170902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.170902 (E_RNA)
where:
Base-Base interactions energy: -175.395
where: short stacking energy: -68.907
Base-Backbone interact. energy: 0.153
local terms energy: -75.929054
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -18.869
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: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -257.327765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.327765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.327765 (E_RNA)
where:
Base-Base interactions energy: -179.976
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.364
local terms energy: -76.987559
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -212.465658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465658 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.288
local terms energy: -63.455198
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -207.694569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.694569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.694569 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -51.987
Base-Backbone interact. energy: -0.758
local terms energy: -60.294504
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -191.171945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.171945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.171945 (E_RNA)
where:
Base-Base interactions energy: -132.879
where: short stacking energy: -52.123
Base-Backbone interact. energy: -0.442
local terms energy: -57.851522
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -10.781
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: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -199.239883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.239883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.239883 (E_RNA)
where:
Base-Base interactions energy: -141.479
where: short stacking energy: -56.220
Base-Backbone interact. energy: -1.181
local terms energy: -56.579201
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -118.177859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.177859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.177859 (E_RNA)
where:
Base-Base interactions energy: -66.030
where: short stacking energy: -45.284
Base-Backbone interact. energy: -0.499
local terms energy: -51.648332
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.815
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: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -84.377939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.377939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.377939 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -28.398
Base-Backbone interact. energy: 0.857
local terms energy: -45.777783
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: 1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -265.166591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.166591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.166591 (E_RNA)
where:
Base-Base interactions energy: -185.342
where: short stacking energy: -75.865
Base-Backbone interact. energy: -1.730
local terms energy: -78.094676
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -18.969
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -262.363180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.363180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.363180 (E_RNA)
where:
Base-Base interactions energy: -182.407
where: short stacking energy: -70.145
Base-Backbone interact. energy: -0.901
local terms energy: -79.055805
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -12.832
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)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -260.268743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.268743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.268743 (E_RNA)
where:
Base-Base interactions energy: -182.303
where: short stacking energy: -75.899
Base-Backbone interact. energy: -0.024
local terms energy: -77.942597
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -256.994358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.994358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.994358 (E_RNA)
where:
Base-Base interactions energy: -182.699
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.109
local terms energy: -74.186746
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -16.939
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: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -202.621305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.621305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.621305 (E_RNA)
where:
Base-Base interactions energy: -144.462
where: short stacking energy: -55.752
Base-Backbone interact. energy: -0.797
local terms energy: -57.362062
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -209.175968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.175968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.175968 (E_RNA)
where:
Base-Base interactions energy: -138.455
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.383
local terms energy: -70.337930
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -212.971204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.971204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.971204 (E_RNA)
where:
Base-Base interactions energy: -149.774
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.576
local terms energy: -62.621098
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -162.197911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.197911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.197911 (E_RNA)
where:
Base-Base interactions energy: -98.106
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.104
local terms energy: -63.987833
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -86.648777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.648777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.648777 (E_RNA)
where:
Base-Base interactions energy: -25.669
where: short stacking energy: -25.669
Base-Backbone interact. energy: -0.021
local terms energy: -60.958575
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -143.149172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.149172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.149172 (E_RNA)
where:
Base-Base interactions energy: -92.309
where: short stacking energy: -40.977
Base-Backbone interact. energy: -0.287
local terms energy: -50.552923
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -263.537372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.537372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.537372 (E_RNA)
where:
Base-Base interactions energy: -187.578
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.610
local terms energy: -75.349327
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -11.711
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: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -265.209648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.209648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.209648 (E_RNA)
where:
Base-Base interactions energy: -177.794
where: short stacking energy: -76.404
Base-Backbone interact. energy: -0.194
local terms energy: -87.221687
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -21.132
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -252.780811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.780811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.780811 (E_RNA)
where:
Base-Base interactions energy: -179.008
where: short stacking energy: -66.994
Base-Backbone interact. energy: 0.457
local terms energy: -74.230096
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -262.876754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.876754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.876754 (E_RNA)
where:
Base-Base interactions energy: -185.816
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.053
local terms energy: -77.007595
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -5.428
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: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -217.724467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724467 (E_RNA)
where:
Base-Base interactions energy: -146.030
where: short stacking energy: -48.904
Base-Backbone interact. energy: 2.222
local terms energy: -73.916614
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -217.057718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.057718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.057718 (E_RNA)
where:
Base-Base interactions energy: -151.981
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.116
local terms energy: -64.960625
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -18.162
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: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -207.154530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.154530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.154530 (E_RNA)
where:
Base-Base interactions energy: -144.832
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.322
local terms energy: -62.001169
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -10.165
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: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -92.563540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.563540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.563540 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -42.573
Base-Backbone interact. energy: -0.058
local terms energy: -49.931685
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -3.802
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: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -160.531012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.531012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.531012 (E_RNA)
where:
Base-Base interactions energy: -98.677
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.019
local terms energy: -61.835724
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -151.390024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.390024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.390024 (E_RNA)
where:
Base-Base interactions energy: -86.109
where: short stacking energy: -41.377
Base-Backbone interact. energy: -0.024
local terms energy: -65.257039
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -263.138221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.138221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.138221 (E_RNA)
where:
Base-Base interactions energy: -188.808
where: short stacking energy: -81.094
Base-Backbone interact. energy: -0.133
local terms energy: -74.196491
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -22.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -261.730784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.730784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.730784 (E_RNA)
where:
Base-Base interactions energy: -184.527
where: short stacking energy: -75.734
Base-Backbone interact. energy: -1.085
local terms energy: -76.119251
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -18.430
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -254.386960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.386960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.386960 (E_RNA)
where:
Base-Base interactions energy: -176.650
where: short stacking energy: -68.613
Base-Backbone interact. energy: -2.537
local terms energy: -75.199971
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -251.552242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.552242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.552242 (E_RNA)
where:
Base-Base interactions energy: -179.182
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.292
local terms energy: -72.078614
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -23.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -226.040502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.040502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.040502 (E_RNA)
where:
Base-Base interactions energy: -152.808
where: short stacking energy: -61.881
Base-Backbone interact. energy: -0.665
local terms energy: -72.567366
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -14.214
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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -216.262188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.262188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.262188 (E_RNA)
where:
Base-Base interactions energy: -151.017
where: short stacking energy: -58.243
Base-Backbone interact. energy: -1.189
local terms energy: -64.056128
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -211.432856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.432856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.432856 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -53.748
Base-Backbone interact. energy: -1.444
local terms energy: -71.832486
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -94.924024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.924024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.924024 (E_RNA)
where:
Base-Base interactions energy: -44.683
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.218
local terms energy: -50.022541
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -164.375693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.375693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.375693 (E_RNA)
where:
Base-Base interactions energy: -107.391
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.246
local terms energy: -56.738013
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -145.559046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.559046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.559046 (E_RNA)
where:
Base-Base interactions energy: -98.603
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.122
local terms energy: -46.833663
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -8.097
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: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -268.394263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.394263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.394263 (E_RNA)
where:
Base-Base interactions energy: -188.246
where: short stacking energy: -68.265
Base-Backbone interact. energy: 0.076
local terms energy: -80.224415
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -268.093038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.093038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.093038 (E_RNA)
where:
Base-Base interactions energy: -182.011
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.168
local terms energy: -85.914418
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -21.586
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: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -259.037209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.037209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.037209 (E_RNA)
where:
Base-Base interactions energy: -183.473
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.108
local terms energy: -75.455722
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -251.441947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.441947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.441947 (E_RNA)
where:
Base-Base interactions energy: -171.819
where: short stacking energy: -68.883
Base-Backbone interact. energy: -1.213
local terms energy: -78.409905
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -22.117
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: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -221.748181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.748181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.748181 (E_RNA)
where:
Base-Base interactions energy: -154.022
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.173
local terms energy: -67.552452
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -210.793343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.793343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.793343 (E_RNA)
where:
Base-Base interactions energy: -143.463
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.124
local terms energy: -67.206440
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -210.349973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.349973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.349973 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -61.208
Base-Backbone interact. energy: -0.303
local terms energy: -64.600813
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -152.221844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.221844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.221844 (E_RNA)
where:
Base-Base interactions energy: -87.005
where: short stacking energy: -48.215
Base-Backbone interact. energy: -0.328
local terms energy: -64.888350
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -7.400
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: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -91.088035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088035 (E_RNA)
where:
Base-Base interactions energy: -39.006
where: short stacking energy: -35.519
Base-Backbone interact. energy: 0.974
local terms energy: -53.056576
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -139.104898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.104898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.104898 (E_RNA)
where:
Base-Base interactions energy: -86.733
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.197
local terms energy: -52.174246
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -267.002517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.002517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.002517 (E_RNA)
where:
Base-Base interactions energy: -189.086
where: short stacking energy: -74.253
Base-Backbone interact. energy: 4.078
local terms energy: -81.994747
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -265.407334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.407334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.407334 (E_RNA)
where:
Base-Base interactions energy: -184.987
where: short stacking energy: -71.807
Base-Backbone interact. energy: 1.493
local terms energy: -81.912894
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -260.640474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.640474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.640474 (E_RNA)
where:
Base-Base interactions energy: -179.579
where: short stacking energy: -78.162
Base-Backbone interact. energy: -1.336
local terms energy: -79.724740
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -20.396
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: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -260.232255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.232255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.232255 (E_RNA)
where:
Base-Base interactions energy: -179.273
where: short stacking energy: -68.332
Base-Backbone interact. energy: -1.330
local terms energy: -79.629465
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -217.767312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.767312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.767312 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.415
local terms energy: -66.162480
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -214.705780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.705780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.705780 (E_RNA)
where:
Base-Base interactions energy: -144.711
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.446
local terms energy: -69.547997
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -211.360505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.360505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.360505 (E_RNA)
where:
Base-Base interactions energy: -148.906
where: short stacking energy: -60.772
Base-Backbone interact. energy: 0.356
local terms energy: -62.809870
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -150.429491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.429491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.429491 (E_RNA)
where:
Base-Base interactions energy: -93.160
where: short stacking energy: -50.381
Base-Backbone interact. energy: -0.763
local terms energy: -56.505881
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -3.112
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: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -162.113632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.113632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.113632 (E_RNA)
where:
Base-Base interactions energy: -102.549
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.076
local terms energy: -59.489322
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -75.879156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.879156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.879156 (E_RNA)
where:
Base-Base interactions energy: -22.929
where: short stacking energy: -22.929
Base-Backbone interact. energy: -0.103
local terms energy: -52.846480
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -269.901173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.901173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.901173 (E_RNA)
where:
Base-Base interactions energy: -192.584
where: short stacking energy: -78.601
Base-Backbone interact. energy: -0.050
local terms energy: -77.266895
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -261.190984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.190984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.190984 (E_RNA)
where:
Base-Base interactions energy: -182.522
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.321
local terms energy: -78.347345
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -261.399341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.399341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.399341 (E_RNA)
where:
Base-Base interactions energy: -180.277
where: short stacking energy: -75.329
Base-Backbone interact. energy: -0.868
local terms energy: -80.254297
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -262.402792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.402792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.402792 (E_RNA)
where:
Base-Base interactions energy: -180.154
where: short stacking energy: -79.509
Base-Backbone interact. energy: -1.019
local terms energy: -81.229515
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -207.057368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.057368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.057368 (E_RNA)
where:
Base-Base interactions energy: -136.476
where: short stacking energy: -49.440
Base-Backbone interact. energy: -0.780
local terms energy: -69.801631
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -11.102
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: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -209.191354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.191354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.191354 (E_RNA)
where:
Base-Base interactions energy: -139.858
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.150
local terms energy: -69.183650
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -219.778431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.778431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.778431 (E_RNA)
where:
Base-Base interactions energy: -148.347
where: short stacking energy: -55.830
Base-Backbone interact. energy: -1.197
local terms energy: -70.234623
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -157.946304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.946304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.946304 (E_RNA)
where:
Base-Base interactions energy: -101.876
where: short stacking energy: -52.266
Base-Backbone interact. energy: -0.098
local terms energy: -55.973176
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -145.985524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.985524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.985524 (E_RNA)
where:
Base-Base interactions energy: -87.172
where: short stacking energy: -45.215
Base-Backbone interact. energy: 0.474
local terms energy: -59.287743
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -83.815583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.815583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.815583 (E_RNA)
where:
Base-Base interactions energy: -31.415
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.022
local terms energy: -52.378775
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -264.705293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.705293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.705293 (E_RNA)
where:
Base-Base interactions energy: -183.189
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.634
local terms energy: -80.881786
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -262.483869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.483869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.483869 (E_RNA)
where:
Base-Base interactions energy: -182.364
where: short stacking energy: -72.124
Base-Backbone interact. energy: -0.249
local terms energy: -79.870640
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -276.009190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.009190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.009190 (E_RNA)
where:
Base-Base interactions energy: -202.416
where: short stacking energy: -79.354
Base-Backbone interact. energy: -0.018
local terms energy: -73.574746
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -254.860830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.860830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.860830 (E_RNA)
where:
Base-Base interactions energy: -180.673
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.008
local terms energy: -74.180573
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -226.235932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.235932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.235932 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.144
local terms energy: -71.276825
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -209.765627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.765627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.765627 (E_RNA)
where:
Base-Base interactions energy: -144.687
where: short stacking energy: -67.950
Base-Backbone interact. energy: -0.973
local terms energy: -64.106116
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -202.483389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.483389 (E_RNA)
where:
Base-Base interactions energy: -140.117
where: short stacking energy: -50.371
Base-Backbone interact. energy: 0.327
local terms energy: -62.693817
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -162.427684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.427684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.427684 (E_RNA)
where:
Base-Base interactions energy: -96.840
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.057
local terms energy: -65.530949
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -149.325252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.325252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.325252 (E_RNA)
where:
Base-Base interactions energy: -92.419
where: short stacking energy: -44.175
Base-Backbone interact. energy: 0.583
local terms energy: -57.488876
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -81.654058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654058 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -31.656
Base-Backbone interact. energy: -0.057
local terms energy: -50.041482
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -6.798
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: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -265.744129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.744129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.744129 (E_RNA)
where:
Base-Base interactions energy: -178.710
where: short stacking energy: -70.366
Base-Backbone interact. energy: -1.809
local terms energy: -85.224960
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -20.262
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: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -276.334271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.334271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.334271 (E_RNA)
where:
Base-Base interactions energy: -197.181
where: short stacking energy: -84.364
Base-Backbone interact. energy: -0.324
local terms energy: -78.830110
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -261.639831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.639831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.639831 (E_RNA)
where:
Base-Base interactions energy: -180.156
where: short stacking energy: -76.799
Base-Backbone interact. energy: -1.360
local terms energy: -80.123611
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -259.309619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.309619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.309619 (E_RNA)
where:
Base-Base interactions energy: -185.947
where: short stacking energy: -77.017
Base-Backbone interact. energy: 3.878
local terms energy: -77.241292
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -20.593
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -233.513703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.513703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.513703 (E_RNA)
where:
Base-Base interactions energy: -165.391
where: short stacking energy: -68.643
Base-Backbone interact. energy: -0.822
local terms energy: -67.300701
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -205.191909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191909 (E_RNA)
where:
Base-Base interactions energy: -143.714
where: short stacking energy: -53.767
Base-Backbone interact. energy: -0.615
local terms energy: -60.863187
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -195.796693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.796693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.796693 (E_RNA)
where:
Base-Base interactions energy: -140.611
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.649
local terms energy: -54.536621
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -160.543389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.543389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.543389 (E_RNA)
where:
Base-Base interactions energy: -95.009
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.172
local terms energy: -65.363146
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -156.774107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.774107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.774107 (E_RNA)
where:
Base-Base interactions energy: -103.760
where: short stacking energy: -49.488
Base-Backbone interact. energy: -0.047
local terms energy: -52.967199
where:
bonds (distance) C4'-P energy: -6.833
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -9.053
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: 371
Temperature: 1.350000
Total energy: -90.354631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.354631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.354631 (E_RNA)
where:
Base-Base interactions energy: -38.065
where: short stacking energy: -37.181
Base-Backbone interact. energy: -0.082
local terms energy: -52.208223
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -286.659305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.659305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.659305 (E_RNA)
where:
Base-Base interactions energy: -208.882
where: short stacking energy: -80.320
Base-Backbone interact. energy: -0.305
local terms energy: -77.472612
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -266.418116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.418116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.418116 (E_RNA)
where:
Base-Base interactions energy: -181.379
where: short stacking energy: -76.387
Base-Backbone interact. energy: -2.194
local terms energy: -82.845548
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -22.951
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: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -263.256975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.256975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.256975 (E_RNA)
where:
Base-Base interactions energy: -188.951
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.125
local terms energy: -74.181240
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -17.678
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: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -249.970113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.970113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.970113 (E_RNA)
where:
Base-Base interactions energy: -179.632
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.764
local terms energy: -69.574691
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -215.545969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.545969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.545969 (E_RNA)
where:
Base-Base interactions energy: -147.427
where: short stacking energy: -57.830
Base-Backbone interact. energy: -1.224
local terms energy: -66.895843
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -201.587385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.587385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.587385 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.478
local terms energy: -64.413680
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -168.408244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.408244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.408244 (E_RNA)
where:
Base-Base interactions energy: -104.111
where: short stacking energy: -48.750
Base-Backbone interact. energy: 0.423
local terms energy: -64.719701
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -197.007171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.007171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.007171 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.258
local terms energy: -60.429763
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -9.140
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)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -154.261789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.261789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.261789 (E_RNA)
where:
Base-Base interactions energy: -109.695
where: short stacking energy: -51.001
Base-Backbone interact. energy: 0.092
local terms energy: -44.657972
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -85.520567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.520567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.520567 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -26.831
Base-Backbone interact. energy: 0.939
local terms energy: -59.628365
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -282.207595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207595 (E_RNA)
where:
Base-Base interactions energy: -204.667
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.039
local terms energy: -77.501125
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -267.350081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.350081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.350081 (E_RNA)
where:
Base-Base interactions energy: -190.233
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.620
local terms energy: -76.497486
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -17.543
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -263.100873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.100873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.100873 (E_RNA)
where:
Base-Base interactions energy: -182.304
where: short stacking energy: -78.072
Base-Backbone interact. energy: -1.298
local terms energy: -79.499422
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -255.434183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.434183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.434183 (E_RNA)
where:
Base-Base interactions energy: -177.446
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.007
local terms energy: -77.981708
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -22.845
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: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -210.125180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.125180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125180 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.245
local terms energy: -68.239243
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -178.937464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937464 (E_RNA)
where:
Base-Base interactions energy: -109.218
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.003
local terms energy: -69.716377
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -19.778
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: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -198.182142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.182142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.182142 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.830
local terms energy: -62.852786
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -223.156239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.156239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.156239 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -58.166
Base-Backbone interact. energy: -0.208
local terms energy: -70.751052
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -152.171834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.171834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.171834 (E_RNA)
where:
Base-Base interactions energy: -90.864
where: short stacking energy: -46.341
Base-Backbone interact. energy: -0.520
local terms energy: -60.787819
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -81.486997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.486997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.486997 (E_RNA)
where:
Base-Base interactions energy: -29.429
where: short stacking energy: -29.429
Base-Backbone interact. energy: -0.046
local terms energy: -52.012435
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -277.408253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.408253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.408253 (E_RNA)
where:
Base-Base interactions energy: -199.633
where: short stacking energy: -81.567
Base-Backbone interact. energy: -0.749
local terms energy: -77.026409
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -21.902
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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -265.215351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.215351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.215351 (E_RNA)
where:
Base-Base interactions energy: -183.425
where: short stacking energy: -80.504
Base-Backbone interact. energy: -0.033
local terms energy: -81.756843
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -264.457813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.457813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.457813 (E_RNA)
where:
Base-Base interactions energy: -192.135
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.011
local terms energy: -72.311674
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -255.813604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.813604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.813604 (E_RNA)
where:
Base-Base interactions energy: -179.364
where: short stacking energy: -79.009
Base-Backbone interact. energy: -1.350
local terms energy: -75.099699
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -22.484
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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -223.589577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.589577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.589577 (E_RNA)
where:
Base-Base interactions energy: -155.621
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.170
local terms energy: -67.798663
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -14.878
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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -176.023504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.023504 (E_RNA)
where:
Base-Base interactions energy: -113.985
where: short stacking energy: -62.727
Base-Backbone interact. energy: 1.527
local terms energy: -63.565373
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -208.917086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.917086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.917086 (E_RNA)
where:
Base-Base interactions energy: -139.662
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.536
local terms energy: -68.718541
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -203.389710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.389710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.389710 (E_RNA)
where:
Base-Base interactions energy: -143.007
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.236
local terms energy: -60.146748
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -85.318790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.318790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.318790 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -37.611
Base-Backbone interact. energy: -0.283
local terms energy: -47.425167
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -144.397579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.397579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.397579 (E_RNA)
where:
Base-Base interactions energy: -84.593
where: short stacking energy: -44.832
Base-Backbone interact. energy: -0.293
local terms energy: -59.511760
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -280.736319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.736319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.736319 (E_RNA)
where:
Base-Base interactions energy: -204.231
where: short stacking energy: -80.600
Base-Backbone interact. energy: -0.402
local terms energy: -76.103721
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -21.599
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: 375
Temperature: 0.950000
Total energy: -261.863100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.863100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.863100 (E_RNA)
where:
Base-Base interactions energy: -178.599
where: short stacking energy: -75.912
Base-Backbone interact. energy: -0.125
local terms energy: -83.138897
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -22.024
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: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -280.931744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.931744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.931744 (E_RNA)
where:
Base-Base interactions energy: -202.321
where: short stacking energy: -77.889
Base-Backbone interact. energy: -0.161
local terms energy: -78.449846
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -20.999
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: 375
Temperature: 1.050000
Total energy: -231.322740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.322740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.322740 (E_RNA)
where:
Base-Base interactions energy: -160.848
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.510
local terms energy: -69.964411
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -266.389194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.389194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.389194 (E_RNA)
where:
Base-Base interactions energy: -186.134
where: short stacking energy: -74.232
Base-Backbone interact. energy: -0.013
local terms energy: -80.242220
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -22.183
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: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -209.474650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.474650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.474650 (E_RNA)
where:
Base-Base interactions energy: -141.453
where: short stacking energy: -55.925
Base-Backbone interact. energy: 0.041
local terms energy: -68.062097
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -11.853
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: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -156.589205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.589205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.589205 (E_RNA)
where:
Base-Base interactions energy: -103.117
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.702
local terms energy: -52.770008
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -197.303942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.303942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.303942 (E_RNA)
where:
Base-Base interactions energy: -140.921
where: short stacking energy: -49.936
Base-Backbone interact. energy: -0.715
local terms energy: -55.668010
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.462350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.462350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.462350 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -30.463
Base-Backbone interact. energy: -0.341
local terms energy: -52.285932
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -143.881812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.881812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.881812 (E_RNA)
where:
Base-Base interactions energy: -94.447
where: short stacking energy: -35.714
Base-Backbone interact. energy: -1.549
local terms energy: -47.886022
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -273.295806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.295806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.295806 (E_RNA)
where:
Base-Base interactions energy: -196.227
where: short stacking energy: -76.988
Base-Backbone interact. energy: -0.231
local terms energy: -76.837547
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -275.070429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.070429 (E_RNA)
where:
Base-Base interactions energy: -199.364
where: short stacking energy: -79.311
Base-Backbone interact. energy: -0.044
local terms energy: -75.663105
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -267.547078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.547078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.547078 (E_RNA)
where:
Base-Base interactions energy: -192.442
where: short stacking energy: -77.846
Base-Backbone interact. energy: -0.661
local terms energy: -74.444294
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -226.954566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.954566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.954566 (E_RNA)
where:
Base-Base interactions energy: -158.355
where: short stacking energy: -66.795
Base-Backbone interact. energy: 0.742
local terms energy: -69.342044
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -17.255
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: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -216.778980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.778980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.778980 (E_RNA)
where:
Base-Base interactions energy: -154.469
where: short stacking energy: -62.090
Base-Backbone interact. energy: -0.449
local terms energy: -61.860668
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -8.674
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: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -254.740818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.740818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.740818 (E_RNA)
where:
Base-Base interactions energy: -184.499
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.108
local terms energy: -70.133785
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -19.804
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -210.843869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.843869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843869 (E_RNA)
where:
Base-Base interactions energy: -143.849
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.113
local terms energy: -66.881073
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -13.958
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -148.959419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.959419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.959419 (E_RNA)
where:
Base-Base interactions energy: -91.431
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.806
local terms energy: -56.722402
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -154.196860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.196860 (E_RNA)
where:
Base-Base interactions energy: -97.463
where: short stacking energy: -50.054
Base-Backbone interact. energy: -0.139
local terms energy: -56.594430
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -6.812
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: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -88.575449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575449 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.022
local terms energy: -57.328445
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -278.038577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.038577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.038577 (E_RNA)
where:
Base-Base interactions energy: -202.046
where: short stacking energy: -83.696
Base-Backbone interact. energy: -0.251
local terms energy: -75.741634
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -279.267774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.267774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.267774 (E_RNA)
where:
Base-Base interactions energy: -205.018
where: short stacking energy: -74.140
Base-Backbone interact. energy: -0.189
local terms energy: -74.060802
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -261.577743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.577743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.577743 (E_RNA)
where:
Base-Base interactions energy: -189.892
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.341
local terms energy: -71.344219
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -227.622341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.622341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.622341 (E_RNA)
where:
Base-Base interactions energy: -157.397
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.476
local terms energy: -69.750173
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -208.745872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.745872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.745872 (E_RNA)
where:
Base-Base interactions energy: -142.688
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.886
local terms energy: -65.171588
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -249.698077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.698077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.698077 (E_RNA)
where:
Base-Base interactions energy: -173.752
where: short stacking energy: -68.477
Base-Backbone interact. energy: -0.848
local terms energy: -75.097202
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -21.993
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -214.939681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.939681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.939681 (E_RNA)
where:
Base-Base interactions energy: -149.091
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.273
local terms energy: -65.575588
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -143.394723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.394723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.394723 (E_RNA)
where:
Base-Base interactions energy: -85.964
where: short stacking energy: -39.310
Base-Backbone interact. energy: -0.024
local terms energy: -57.406400
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -146.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.367593 (E_RNA)
where:
Base-Base interactions energy: -94.764
where: short stacking energy: -43.301
Base-Backbone interact. energy: 0.437
local terms energy: -52.040892
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.837
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -91.461375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.461375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.461375 (E_RNA)
where:
Base-Base interactions energy: -35.804
where: short stacking energy: -35.804
Base-Backbone interact. energy: -0.471
local terms energy: -55.186901
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -9.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -279.129167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.129167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.129167 (E_RNA)
where:
Base-Base interactions energy: -200.062
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.721
local terms energy: -78.345915
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -17.682
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: 378
Temperature: 0.950000
Total energy: -273.833777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.833777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.833777 (E_RNA)
where:
Base-Base interactions energy: -191.765
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.031
local terms energy: -82.038543
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -22.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -266.604227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.604227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.604227 (E_RNA)
where:
Base-Base interactions energy: -198.024
where: short stacking energy: -75.809
Base-Backbone interact. energy: -0.109
local terms energy: -68.471434
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -15.656
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: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -217.023164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.023164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.023164 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.065
local terms energy: -65.405568
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -254.527187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.527187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.527187 (E_RNA)
where:
Base-Base interactions energy: -183.661
where: short stacking energy: -71.180
Base-Backbone interact. energy: 0.469
local terms energy: -71.334725
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -216.156379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.156379 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -55.336
Base-Backbone interact. energy: -1.298
local terms energy: -70.901910
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -10.565
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: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -169.055576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.055576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.055576 (E_RNA)
where:
Base-Base interactions energy: -104.768
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.334
local terms energy: -63.953843
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -203.023628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023628 (E_RNA)
where:
Base-Base interactions energy: -135.964
where: short stacking energy: -52.097
Base-Backbone interact. energy: -1.270
local terms energy: -65.790126
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -171.677497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.677497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.677497 (E_RNA)
where:
Base-Base interactions energy: -110.031
where: short stacking energy: -37.433
Base-Backbone interact. energy: -0.679
local terms energy: -60.967321
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -89.411644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411644 (E_RNA)
where:
Base-Base interactions energy: -28.880
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.067
local terms energy: -60.464867
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -272.124403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.124403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.124403 (E_RNA)
where:
Base-Base interactions energy: -198.365
where: short stacking energy: -74.353
Base-Backbone interact. energy: -0.168
local terms energy: -73.591513
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -270.613231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.613231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.613231 (E_RNA)
where:
Base-Base interactions energy: -201.905
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.116
local terms energy: -68.592820
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -263.606493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.606493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.606493 (E_RNA)
where:
Base-Base interactions energy: -189.020
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.156
local terms energy: -74.429849
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.715
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)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -253.669971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.669971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.669971 (E_RNA)
where:
Base-Base interactions energy: -175.493
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.438
local terms energy: -77.738269
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -226.376547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.376547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.376547 (E_RNA)
where:
Base-Base interactions energy: -151.426
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.365
local terms energy: -74.585865
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -205.011040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.011040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.011040 (E_RNA)
where:
Base-Base interactions energy: -137.887
where: short stacking energy: -55.239
Base-Backbone interact. energy: -0.744
local terms energy: -66.380251
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -159.295264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.295264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.295264 (E_RNA)
where:
Base-Base interactions energy: -97.129
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.088
local terms energy: -62.078342
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -199.147735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147735 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.398
local terms energy: -63.662793
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -157.607923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.607923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.607923 (E_RNA)
where:
Base-Base interactions energy: -108.776
where: short stacking energy: -42.155
Base-Backbone interact. energy: -0.644
local terms energy: -48.187818
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -5.744
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: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -94.277147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.277147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.277147 (E_RNA)
where:
Base-Base interactions energy: -37.258
where: short stacking energy: -37.258
Base-Backbone interact. energy: -0.059
local terms energy: -56.959483
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -10.353
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: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -279.002035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.002035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.002035 (E_RNA)
where:
Base-Base interactions energy: -203.612
where: short stacking energy: -79.608
Base-Backbone interact. energy: -0.016
local terms energy: -75.373393
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -20.921
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: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -271.159868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.159868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.159868 (E_RNA)
where:
Base-Base interactions energy: -201.503
where: short stacking energy: -76.457
Base-Backbone interact. energy: -0.840
local terms energy: -68.816404
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -17.887
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: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -269.718108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.718108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.718108 (E_RNA)
where:
Base-Base interactions energy: -199.630
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.795
local terms energy: -69.292656
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.770
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -249.397299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.397299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.397299 (E_RNA)
where:
Base-Base interactions energy: -178.554
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.022
local terms energy: -70.821594
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -18.008
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: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -211.579476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.579476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.579476 (E_RNA)
where:
Base-Base interactions energy: -145.185
where: short stacking energy: -57.747
Base-Backbone interact. energy: -2.384
local terms energy: -64.010267
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -208.768025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.768025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.768025 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.628
local terms energy: -56.731357
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -9.142
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -207.143780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.143780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.143780 (E_RNA)
where:
Base-Base interactions energy: -147.021
where: short stacking energy: -51.023
Base-Backbone interact. energy: -0.165
local terms energy: -59.957611
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -153.267125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.267125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.267125 (E_RNA)
where:
Base-Base interactions energy: -94.935
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.150
local terms energy: -58.181462
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -144.916820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.916820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.916820 (E_RNA)
where:
Base-Base interactions energy: -87.749
where: short stacking energy: -42.297
Base-Backbone interact. energy: -1.146
local terms energy: -56.021748
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -85.744799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744799 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -21.909
Base-Backbone interact. energy: -1.475
local terms energy: -40.498041
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -282.047166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.047166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.047166 (E_RNA)
where:
Base-Base interactions energy: -201.744
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.069
local terms energy: -80.234829
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -21.308
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: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -270.962245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.962245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.962245 (E_RNA)
where:
Base-Base interactions energy: -195.313
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.020
local terms energy: -75.629495
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -268.045233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.045233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.045233 (E_RNA)
where:
Base-Base interactions energy: -198.658
where: short stacking energy: -75.542
Base-Backbone interact. energy: -0.372
local terms energy: -69.014623
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -249.310132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.310132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.310132 (E_RNA)
where:
Base-Base interactions energy: -167.673
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.272
local terms energy: -81.365255
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -225.119385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.119385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.119385 (E_RNA)
where:
Base-Base interactions energy: -152.018
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.672
local terms energy: -72.429382
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -215.093645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.093645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.093645 (E_RNA)
where:
Base-Base interactions energy: -153.021
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.122
local terms energy: -61.950644
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -202.017106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.017106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.017106 (E_RNA)
where:
Base-Base interactions energy: -136.088
where: short stacking energy: -49.735
Base-Backbone interact. energy: -0.451
local terms energy: -65.478362
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -8.510
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: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -159.531261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.531261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.531261 (E_RNA)
where:
Base-Base interactions energy: -94.713
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.046
local terms energy: -64.772255
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -176.010813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.010813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.010813 (E_RNA)
where:
Base-Base interactions energy: -110.741
where: short stacking energy: -45.282
Base-Backbone interact. energy: 0.263
local terms energy: -65.532284
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -74.691694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.691694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.691694 (E_RNA)
where:
Base-Base interactions energy: -36.914
where: short stacking energy: -20.282
Base-Backbone interact. energy: -0.826
local terms energy: -36.952301
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: 4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -276.383792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.383792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.383792 (E_RNA)
where:
Base-Base interactions energy: -199.585
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.042
local terms energy: -76.756532
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -262.098604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.098604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.098604 (E_RNA)
where:
Base-Base interactions energy: -177.373
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.684
local terms energy: -84.042457
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -265.515989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.515989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.515989 (E_RNA)
where:
Base-Base interactions energy: -199.117
where: short stacking energy: -71.636
Base-Backbone interact. energy: -1.234
local terms energy: -65.164988
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -253.755396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.755396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.755396 (E_RNA)
where:
Base-Base interactions energy: -179.561
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.160
local terms energy: -74.034256
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -227.958847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.958847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.958847 (E_RNA)
where:
Base-Base interactions energy: -153.989
where: short stacking energy: -68.777
Base-Backbone interact. energy: -0.406
local terms energy: -73.564073
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -13.890
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: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -217.813421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.813421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.813421 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.719
local terms energy: -64.509630
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -10.700
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: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -197.883014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.883014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.883014 (E_RNA)
where:
Base-Base interactions energy: -133.264
where: short stacking energy: -56.777
Base-Backbone interact. energy: 2.539
local terms energy: -67.157350
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -160.499147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.499147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.499147 (E_RNA)
where:
Base-Base interactions energy: -101.257
where: short stacking energy: -54.749
Base-Backbone interact. energy: -0.960
local terms energy: -58.281633
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -152.496107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.496107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.496107 (E_RNA)
where:
Base-Base interactions energy: -105.694
where: short stacking energy: -41.459
Base-Backbone interact. energy: -0.245
local terms energy: -46.557210
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.459106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.459106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.459106 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.558
local terms energy: -33.712726
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: 4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -276.171337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.171337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.171337 (E_RNA)
where:
Base-Base interactions energy: -201.923
where: short stacking energy: -85.518
Base-Backbone interact. energy: -0.021
local terms energy: -74.227084
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -266.938150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.938150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.938150 (E_RNA)
where:
Base-Base interactions energy: -184.624
where: short stacking energy: -78.869
Base-Backbone interact. energy: -0.978
local terms energy: -81.336359
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -258.672041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.672041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.672041 (E_RNA)
where:
Base-Base interactions energy: -181.220
where: short stacking energy: -71.514
Base-Backbone interact. energy: -0.095
local terms energy: -77.357049
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -19.087
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: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -234.115860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.115860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.115860 (E_RNA)
where:
Base-Base interactions energy: -161.810
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.239
local terms energy: -72.066731
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -18.631
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -251.047798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.047798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.047798 (E_RNA)
where:
Base-Base interactions energy: -174.044
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.256
local terms energy: -76.748021
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.723
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: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -214.836447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.836447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.836447 (E_RNA)
where:
Base-Base interactions energy: -142.271
where: short stacking energy: -52.374
Base-Backbone interact. energy: -0.197
local terms energy: -72.368772
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -206.655431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.655431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.655431 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.568
local terms energy: -60.974028
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -9.002
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: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -165.534823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.534823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.534823 (E_RNA)
where:
Base-Base interactions energy: -105.065
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.435
local terms energy: -60.034593
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -7.419
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: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -141.434953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.434953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.434953 (E_RNA)
where:
Base-Base interactions energy: -86.860
where: short stacking energy: -43.535
Base-Backbone interact. energy: 1.342
local terms energy: -55.916795
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -88.523738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.523738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.523738 (E_RNA)
where:
Base-Base interactions energy: -26.586
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.598
local terms energy: -61.339780
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -277.894963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.894963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.894963 (E_RNA)
where:
Base-Base interactions energy: -199.553
where: short stacking energy: -81.889
Base-Backbone interact. energy: -0.067
local terms energy: -78.275840
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -22.938
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -266.887087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.887087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.887087 (E_RNA)
where:
Base-Base interactions energy: -174.611
where: short stacking energy: -77.489
Base-Backbone interact. energy: -0.531
local terms energy: -91.744498
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -22.391
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: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -231.086496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086496 (E_RNA)
where:
Base-Base interactions energy: -154.733
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.950
local terms energy: -75.403430
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -17.241
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: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -256.097821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.097821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.097821 (E_RNA)
where:
Base-Base interactions energy: -173.354
where: short stacking energy: -72.281
Base-Backbone interact. energy: 0.489
local terms energy: -83.232822
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -250.044233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.044233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.044233 (E_RNA)
where:
Base-Base interactions energy: -171.414
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.048
local terms energy: -78.582483
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -24.195
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: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -220.339827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.339827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.339827 (E_RNA)
where:
Base-Base interactions energy: -147.681
where: short stacking energy: -59.531
Base-Backbone interact. energy: -0.324
local terms energy: -72.334858
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -207.730802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.730802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.730802 (E_RNA)
where:
Base-Base interactions energy: -144.999
where: short stacking energy: -56.823
Base-Backbone interact. energy: -1.219
local terms energy: -61.512236
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -139.617764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.617764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.617764 (E_RNA)
where:
Base-Base interactions energy: -87.133
where: short stacking energy: -40.396
Base-Backbone interact. energy: -0.310
local terms energy: -52.174463
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -109.979886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.979886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.979886 (E_RNA)
where:
Base-Base interactions energy: -66.630
where: short stacking energy: -30.733
Base-Backbone interact. energy: 0.046
local terms energy: -43.396554
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -4.633
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: 384
Temperature: 1.350000
Total energy: -139.690293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.690293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.690293 (E_RNA)
where:
Base-Base interactions energy: -88.377
where: short stacking energy: -41.776
Base-Backbone interact. energy: -1.793
local terms energy: -49.520113
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -8.404
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: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -278.088363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.088363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.088363 (E_RNA)
where:
Base-Base interactions energy: -201.620
where: short stacking energy: -79.355
Base-Backbone interact. energy: -0.047
local terms energy: -76.421095
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -264.628418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.628418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.628418 (E_RNA)
where:
Base-Base interactions energy: -186.927
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.557
local terms energy: -77.143924
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -240.520353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.520353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.520353 (E_RNA)
where:
Base-Base interactions energy: -170.381
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.184
local terms energy: -69.955510
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -14.422
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: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -261.522474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.522474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.522474 (E_RNA)
where:
Base-Base interactions energy: -182.224
where: short stacking energy: -80.691
Base-Backbone interact. energy: -0.733
local terms energy: -78.565934
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -254.980482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.980482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.980482 (E_RNA)
where:
Base-Base interactions energy: -189.249
where: short stacking energy: -79.315
Base-Backbone interact. energy: 0.550
local terms energy: -66.280947
where:
bonds (distance) C4'-P energy: -7.036
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -20.754
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: 385
Temperature: 1.150000
Total energy: -213.562381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.562381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.562381 (E_RNA)
where:
Base-Base interactions energy: -148.465
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.447
local terms energy: -64.650046
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -209.747197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.747197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.747197 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.394
local terms energy: -65.913601
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -145.985503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.985503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.985503 (E_RNA)
where:
Base-Base interactions energy: -97.457
where: short stacking energy: -45.357
Base-Backbone interact. energy: -0.068
local terms energy: -48.460198
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -7.186
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: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -158.117077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.117077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.117077 (E_RNA)
where:
Base-Base interactions energy: -99.317
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.363
local terms energy: -58.436318
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -159.516889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.516889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.516889 (E_RNA)
where:
Base-Base interactions energy: -98.992
where: short stacking energy: -49.013
Base-Backbone interact. energy: 0.776
local terms energy: -61.300988
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -267.919119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.919119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.919119 (E_RNA)
where:
Base-Base interactions energy: -187.215
where: short stacking energy: -76.437
Base-Backbone interact. energy: -0.105
local terms energy: -80.598863
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.949
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: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -261.658548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.658548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.658548 (E_RNA)
where:
Base-Base interactions energy: -179.717
where: short stacking energy: -70.943
Base-Backbone interact. energy: -1.594
local terms energy: -80.347236
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -23.073
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: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -262.570932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.570932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.570932 (E_RNA)
where:
Base-Base interactions energy: -179.718
where: short stacking energy: -76.110
Base-Backbone interact. energy: -0.023
local terms energy: -82.829940
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -224.079596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.079596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.079596 (E_RNA)
where:
Base-Base interactions energy: -159.709
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.165
local terms energy: -64.205855
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -246.566859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.566859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.566859 (E_RNA)
where:
Base-Base interactions energy: -179.522
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.107
local terms energy: -66.937520
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -218.226400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.226400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.226400 (E_RNA)
where:
Base-Base interactions energy: -157.246
where: short stacking energy: -59.488
Base-Backbone interact. energy: -1.157
local terms energy: -59.823064
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -210.601488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601488 (E_RNA)
where:
Base-Base interactions energy: -140.533
where: short stacking energy: -48.401
Base-Backbone interact. energy: -2.088
local terms energy: -67.980298
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.565
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: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -151.288884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.288884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.288884 (E_RNA)
where:
Base-Base interactions energy: -88.077
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.929
local terms energy: -62.283808
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -144.659737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.659737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.659737 (E_RNA)
where:
Base-Base interactions energy: -95.522
where: short stacking energy: -46.829
Base-Backbone interact. energy: -0.453
local terms energy: -48.684846
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -142.679752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.679752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.679752 (E_RNA)
where:
Base-Base interactions energy: -92.091
where: short stacking energy: -46.256
Base-Backbone interact. energy: 0.761
local terms energy: -51.350212
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -272.178029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.178029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.178029 (E_RNA)
where:
Base-Base interactions energy: -195.293
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.023
local terms energy: -76.862136
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -19.442
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: 387
Temperature: 0.950000
Total energy: -259.324927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.324927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.324927 (E_RNA)
where:
Base-Base interactions energy: -180.161
where: short stacking energy: -72.864
Base-Backbone interact. energy: -0.041
local terms energy: -79.123189
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -261.948497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.948497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.948497 (E_RNA)
where:
Base-Base interactions energy: -185.698
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.028
local terms energy: -76.222213
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -250.504891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.504891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.504891 (E_RNA)
where:
Base-Base interactions energy: -173.532
where: short stacking energy: -66.492
Base-Backbone interact. energy: -0.954
local terms energy: -76.019608
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -227.631571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.631571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.631571 (E_RNA)
where:
Base-Base interactions energy: -162.438
where: short stacking energy: -67.380
Base-Backbone interact. energy: -0.495
local terms energy: -64.698544
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -207.406794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.406794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.406794 (E_RNA)
where:
Base-Base interactions energy: -135.021
where: short stacking energy: -55.588
Base-Backbone interact. energy: -0.685
local terms energy: -71.700872
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -15.526
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: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -207.960370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.960370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.960370 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -64.526
Base-Backbone interact. energy: 1.516
local terms energy: -64.831271
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -157.212159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.212159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.212159 (E_RNA)
where:
Base-Base interactions energy: -99.911
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.482
local terms energy: -56.819556
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -8.850
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: 387
Temperature: 1.300000
Total energy: -156.249994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.249994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.249994 (E_RNA)
where:
Base-Base interactions energy: -98.361
where: short stacking energy: -51.083
Base-Backbone interact. energy: -1.601
local terms energy: -56.288186
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -80.440247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.440247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.440247 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.044
local terms energy: -51.661782
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -257.753487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.753487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.753487 (E_RNA)
where:
Base-Base interactions energy: -175.907
where: short stacking energy: -79.783
Base-Backbone interact. energy: -0.006
local terms energy: -81.840529
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -266.159066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.159066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.159066 (E_RNA)
where:
Base-Base interactions energy: -187.562
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.179
local terms energy: -78.417243
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -263.976722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.976722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.976722 (E_RNA)
where:
Base-Base interactions energy: -187.551
where: short stacking energy: -76.241
Base-Backbone interact. energy: -1.363
local terms energy: -75.062989
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -19.423
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -245.811473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.811473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.811473 (E_RNA)
where:
Base-Base interactions energy: -166.112
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.282
local terms energy: -79.417603
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -20.097
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: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -230.005576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.005576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.005576 (E_RNA)
where:
Base-Base interactions energy: -158.701
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.204
local terms energy: -71.101220
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -207.406203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.406203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.406203 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.495
local terms energy: -65.678927
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -191.845849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.845849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.845849 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.166
local terms energy: -67.312808
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -11.430
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: 388
Temperature: 1.250000
Total energy: -168.811484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.811484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.811484 (E_RNA)
where:
Base-Base interactions energy: -104.628
where: short stacking energy: -52.336
Base-Backbone interact. energy: -1.024
local terms energy: -63.159545
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -10.657
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: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -149.008845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.008845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.008845 (E_RNA)
where:
Base-Base interactions energy: -96.452
where: short stacking energy: -44.791
Base-Backbone interact. energy: -0.540
local terms energy: -52.017078
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -2.523
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: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -82.991155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.991155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.991155 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.186
local terms energy: -53.395688
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -272.627252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.627252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.627252 (E_RNA)
where:
Base-Base interactions energy: -190.212
where: short stacking energy: -81.803
Base-Backbone interact. energy: -2.170
local terms energy: -80.245705
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -270.196426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.196426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.196426 (E_RNA)
where:
Base-Base interactions energy: -203.486
where: short stacking energy: -77.826
Base-Backbone interact. energy: -0.099
local terms energy: -66.610926
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -18.749
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: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -256.200897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.200897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.200897 (E_RNA)
where:
Base-Base interactions energy: -177.428
where: short stacking energy: -74.810
Base-Backbone interact. energy: -0.101
local terms energy: -78.671888
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -250.018161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.018161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.018161 (E_RNA)
where:
Base-Base interactions energy: -174.449
where: short stacking energy: -73.801
Base-Backbone interact. energy: -1.155
local terms energy: -74.413929
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -229.948309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.948309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.948309 (E_RNA)
where:
Base-Base interactions energy: -155.568
where: short stacking energy: -63.941
Base-Backbone interact. energy: 0.750
local terms energy: -75.130221
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -196.964766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.964766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.964766 (E_RNA)
where:
Base-Base interactions energy: -144.348
where: short stacking energy: -54.570
Base-Backbone interact. energy: -0.229
local terms energy: -52.387392
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -11.932
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: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -202.490326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490326 (E_RNA)
where:
Base-Base interactions energy: -146.195
where: short stacking energy: -60.247
Base-Backbone interact. energy: 0.223
local terms energy: -56.518296
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -169.444866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.444866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.444866 (E_RNA)
where:
Base-Base interactions energy: -106.594
where: short stacking energy: -46.046
Base-Backbone interact. energy: -0.234
local terms energy: -62.617046
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -152.305213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.305213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.305213 (E_RNA)
where:
Base-Base interactions energy: -94.495
where: short stacking energy: -44.680
Base-Backbone interact. energy: -0.403
local terms energy: -57.406908
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -74.668582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.668582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.668582 (E_RNA)
where:
Base-Base interactions energy: -23.533
where: short stacking energy: -22.924
Base-Backbone interact. energy: -0.183
local terms energy: -50.951750
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -259.996355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.996355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.996355 (E_RNA)
where:
Base-Base interactions energy: -178.381
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.301
local terms energy: -81.314376
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -263.607921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.607921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.607921 (E_RNA)
where:
Base-Base interactions energy: -184.188
where: short stacking energy: -73.699
Base-Backbone interact. energy: -0.581
local terms energy: -78.838890
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -23.529
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -249.112403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.112403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.112403 (E_RNA)
where:
Base-Base interactions energy: -167.351
where: short stacking energy: -74.195
Base-Backbone interact. energy: -0.294
local terms energy: -81.467294
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -18.494
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: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -258.866404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.866404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.866404 (E_RNA)
where:
Base-Base interactions energy: -180.391
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.161
local terms energy: -78.314545
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -215.006560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.006560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.006560 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -53.196
Base-Backbone interact. energy: 0.734
local terms energy: -63.689090
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -210.120037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.120037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.120037 (E_RNA)
where:
Base-Base interactions energy: -143.336
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.936
local terms energy: -65.847873
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -221.633837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.633837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.633837 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.517
local terms energy: -65.373510
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -158.308331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.308331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.308331 (E_RNA)
where:
Base-Base interactions energy: -95.513
where: short stacking energy: -51.060
Base-Backbone interact. energy: -0.120
local terms energy: -62.675228
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -12.261
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: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -144.098211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.098211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.098211 (E_RNA)
where:
Base-Base interactions energy: -88.778
where: short stacking energy: -42.148
Base-Backbone interact. energy: -0.245
local terms energy: -55.075678
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -85.043545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043545 (E_RNA)
where:
Base-Base interactions energy: -26.821
where: short stacking energy: -26.821
Base-Backbone interact. energy: -0.388
local terms energy: -57.834425
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -267.076081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.076081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.076081 (E_RNA)
where:
Base-Base interactions energy: -182.939
where: short stacking energy: -72.531
Base-Backbone interact. energy: -1.782
local terms energy: -82.355467
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -260.187332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.187332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.187332 (E_RNA)
where:
Base-Base interactions energy: -189.883
where: short stacking energy: -76.828
Base-Backbone interact. energy: -0.475
local terms energy: -69.829826
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -21.857
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: 391
Temperature: 1.000000
Total energy: -263.433566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.433566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.433566 (E_RNA)
where:
Base-Base interactions energy: -190.606
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.035
local terms energy: -72.792602
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -216.064990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.064990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.064990 (E_RNA)
where:
Base-Base interactions energy: -145.416
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.401
local terms energy: -70.248323
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -256.243010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.243010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.243010 (E_RNA)
where:
Base-Base interactions energy: -184.183
where: short stacking energy: -75.158
Base-Backbone interact. energy: 0.671
local terms energy: -72.731814
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -203.581933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.581933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.581933 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -53.248
Base-Backbone interact. energy: -0.348
local terms energy: -66.108288
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -206.435456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.435456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.435456 (E_RNA)
where:
Base-Base interactions energy: -140.294
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.010
local terms energy: -66.131710
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -154.018929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.018929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.018929 (E_RNA)
where:
Base-Base interactions energy: -90.295
where: short stacking energy: -46.377
Base-Backbone interact. energy: -0.196
local terms energy: -63.527373
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -157.288972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.288972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.288972 (E_RNA)
where:
Base-Base interactions energy: -94.630
where: short stacking energy: -50.715
Base-Backbone interact. energy: 0.186
local terms energy: -62.844906
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -91.609723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.609723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.609723 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -23.183
Base-Backbone interact. energy: 0.798
local terms energy: -45.177676
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -9.107
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: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -271.094109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.094109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.094109 (E_RNA)
where:
Base-Base interactions energy: -184.209
where: short stacking energy: -75.461
Base-Backbone interact. energy: -0.522
local terms energy: -86.363123
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -23.365
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: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -262.934917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.934917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.934917 (E_RNA)
where:
Base-Base interactions energy: -180.344
where: short stacking energy: -74.825
Base-Backbone interact. energy: -2.187
local terms energy: -80.403353
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -259.272987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.272987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.272987 (E_RNA)
where:
Base-Base interactions energy: -176.753
where: short stacking energy: -76.228
Base-Backbone interact. energy: -2.039
local terms energy: -80.480842
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -23.353
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: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -212.984410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.984410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.984410 (E_RNA)
where:
Base-Base interactions energy: -149.914
where: short stacking energy: -51.732
Base-Backbone interact. energy: -1.003
local terms energy: -62.067346
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -255.113221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.113221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.113221 (E_RNA)
where:
Base-Base interactions energy: -178.699
where: short stacking energy: -74.565
Base-Backbone interact. energy: -0.002
local terms energy: -76.411882
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -19.098
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: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -205.020694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.020694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.020694 (E_RNA)
where:
Base-Base interactions energy: -137.612
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.278
local terms energy: -67.130928
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -223.188152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.188152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.188152 (E_RNA)
where:
Base-Base interactions energy: -158.462
where: short stacking energy: -65.515
Base-Backbone interact. energy: -1.600
local terms energy: -63.126253
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -153.771037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.771037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.771037 (E_RNA)
where:
Base-Base interactions energy: -93.116
where: short stacking energy: -45.092
Base-Backbone interact. energy: -0.165
local terms energy: -60.490024
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -150.171655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.171655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.171655 (E_RNA)
where:
Base-Base interactions energy: -93.784
where: short stacking energy: -47.538
Base-Backbone interact. energy: -0.080
local terms energy: -56.307257
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -85.406486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406486 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.001
local terms energy: -54.373876
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -268.710172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.710172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.710172 (E_RNA)
where:
Base-Base interactions energy: -186.714
where: short stacking energy: -80.156
Base-Backbone interact. energy: -1.489
local terms energy: -80.507621
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -264.708650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.708650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.708650 (E_RNA)
where:
Base-Base interactions energy: -185.894
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.204
local terms energy: -78.610304
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -18.341
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: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -266.384252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.384252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.384252 (E_RNA)
where:
Base-Base interactions energy: -199.476
where: short stacking energy: -80.418
Base-Backbone interact. energy: -0.014
local terms energy: -66.894577
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -262.153398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.153398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.153398 (E_RNA)
where:
Base-Base interactions energy: -179.998
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.834
local terms energy: -81.320721
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -201.741099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.741099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.741099 (E_RNA)
where:
Base-Base interactions energy: -138.637
where: short stacking energy: -55.674
Base-Backbone interact. energy: -1.153
local terms energy: -61.950520
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.432
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: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -211.088800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088800 (E_RNA)
where:
Base-Base interactions energy: -146.668
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.130
local terms energy: -64.290187
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -208.137256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.137256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.137256 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -56.443
Base-Backbone interact. energy: -0.319
local terms energy: -65.739491
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -157.111563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.111563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.111563 (E_RNA)
where:
Base-Base interactions energy: -89.917
where: short stacking energy: -41.993
Base-Backbone interact. energy: -0.335
local terms energy: -66.859790
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -154.619876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.619876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.619876 (E_RNA)
where:
Base-Base interactions energy: -93.800
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.076
local terms energy: -60.743726
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -6.085
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: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -96.593383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.593383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.593383 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.740
local terms energy: -63.098767
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -268.697699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.697699 (E_RNA)
where:
Base-Base interactions energy: -183.088
where: short stacking energy: -79.206
Base-Backbone interact. energy: -2.095
local terms energy: -83.514240
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -22.442
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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -260.503129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.503129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.503129 (E_RNA)
where:
Base-Base interactions energy: -186.620
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.410
local terms energy: -73.473088
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.661
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: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -274.124474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.124474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.124474 (E_RNA)
where:
Base-Base interactions energy: -197.995
where: short stacking energy: -75.243
Base-Backbone interact. energy: -0.002
local terms energy: -76.127213
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -6.742
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: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -261.391193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.391193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.391193 (E_RNA)
where:
Base-Base interactions energy: -179.172
where: short stacking energy: -75.417
Base-Backbone interact. energy: -1.717
local terms energy: -80.502213
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -22.256
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: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -214.891073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.891073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.891073 (E_RNA)
where:
Base-Base interactions energy: -145.553
where: short stacking energy: -57.267
Base-Backbone interact. energy: -0.574
local terms energy: -68.764554
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -179.744693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744693 (E_RNA)
where:
Base-Base interactions energy: -119.906
where: short stacking energy: -42.830
Base-Backbone interact. energy: -0.706
local terms energy: -59.133268
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -9.162
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: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -200.893187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.893187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.893187 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -58.621
Base-Backbone interact. energy: -0.175
local terms energy: -56.431518
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -161.337504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.337504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.337504 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -46.410
Base-Backbone interact. energy: -0.713
local terms energy: -62.127930
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -10.696
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: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -99.406859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.406859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.406859 (E_RNA)
where:
Base-Base interactions energy: -44.630
where: short stacking energy: -39.561
Base-Backbone interact. energy: -0.054
local terms energy: -54.723457
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -145.797705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.797705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.797705 (E_RNA)
where:
Base-Base interactions energy: -93.934
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.118
local terms energy: -51.745473
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -271.407537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.407537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.407537 (E_RNA)
where:
Base-Base interactions energy: -188.986
where: short stacking energy: -77.580
Base-Backbone interact. energy: -1.284
local terms energy: -81.136945
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -22.380
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: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -258.105255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.105255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.105255 (E_RNA)
where:
Base-Base interactions energy: -183.843
where: short stacking energy: -70.459
Base-Backbone interact. energy: 0.182
local terms energy: -74.444250
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -254.926155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.926155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.926155 (E_RNA)
where:
Base-Base interactions energy: -178.127
where: short stacking energy: -71.311
Base-Backbone interact. energy: -1.000
local terms energy: -75.798598
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -16.971
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: 395
Temperature: 1.050000
Total energy: -255.828683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.828683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.828683 (E_RNA)
where:
Base-Base interactions energy: -176.018
where: short stacking energy: -76.813
Base-Backbone interact. energy: -0.388
local terms energy: -79.423151
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -22.828
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: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -226.596985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.596985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.596985 (E_RNA)
where:
Base-Base interactions energy: -156.203
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.294
local terms energy: -70.100249
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -14.594
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: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -201.157484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.157484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.157484 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.039
local terms energy: -66.827858
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -13.739
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: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -205.878126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.878126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.878126 (E_RNA)
where:
Base-Base interactions energy: -132.569
where: short stacking energy: -58.675
Base-Backbone interact. energy: 0.005
local terms energy: -73.313884
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -14.721
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: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -168.099490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.099490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.099490 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.188
local terms energy: -56.307250
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -10.941
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: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -86.686528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.686528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.686528 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -23.035
Base-Backbone interact. energy: -0.381
local terms energy: -45.994378
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -138.571813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.571813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.571813 (E_RNA)
where:
Base-Base interactions energy: -84.462
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.119
local terms energy: -53.990542
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -267.627059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.627059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.627059 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -74.236
Base-Backbone interact. energy: -0.653
local terms energy: -83.423433
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -265.909223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.909223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.909223 (E_RNA)
where:
Base-Base interactions energy: -183.525
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.826
local terms energy: -81.558822
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -268.806797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.806797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.806797 (E_RNA)
where:
Base-Base interactions energy: -193.268
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.024
local terms energy: -75.515009
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -259.353351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.353351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.353351 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.062
local terms energy: -67.826049
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -227.610065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.610065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.610065 (E_RNA)
where:
Base-Base interactions energy: -152.856
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.171
local terms energy: -74.582925
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -188.151151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.151151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.151151 (E_RNA)
where:
Base-Base interactions energy: -130.183
where: short stacking energy: -47.205
Base-Backbone interact. energy: -0.057
local terms energy: -57.911801
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -202.343726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.343726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.343726 (E_RNA)
where:
Base-Base interactions energy: -147.974
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.408
local terms energy: -53.961608
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -159.719359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.719359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.719359 (E_RNA)
where:
Base-Base interactions energy: -102.713
where: short stacking energy: -46.726
Base-Backbone interact. energy: -0.188
local terms energy: -56.818632
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -166.821276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.821276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.821276 (E_RNA)
where:
Base-Base interactions energy: -103.771
where: short stacking energy: -51.532
Base-Backbone interact. energy: -0.499
local terms energy: -62.551724
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -84.578790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578790 (E_RNA)
where:
Base-Base interactions energy: -45.478
where: short stacking energy: -31.170
Base-Backbone interact. energy: 0.078
local terms energy: -39.179237
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -6.679
flat angles P-C4'-P energy: -2.568
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: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -259.867599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.867599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.867599 (E_RNA)
where:
Base-Base interactions energy: -181.942
where: short stacking energy: -74.853
Base-Backbone interact. energy: -1.307
local terms energy: -76.618872
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -272.852921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.852921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.852921 (E_RNA)
where:
Base-Base interactions energy: -192.178
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.003
local terms energy: -80.672545
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -24.038
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: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -256.718356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.718356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.718356 (E_RNA)
where:
Base-Base interactions energy: -179.449
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.184
local terms energy: -77.084623
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -20.444
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -258.749521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.749521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.749521 (E_RNA)
where:
Base-Base interactions energy: -185.369
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.018
local terms energy: -73.363216
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -22.494
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: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -227.571789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.571789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.571789 (E_RNA)
where:
Base-Base interactions energy: -154.750
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.657
local terms energy: -72.164511
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -212.990718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.990718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.990718 (E_RNA)
where:
Base-Base interactions energy: -142.341
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.504
local terms energy: -70.145768
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -193.952803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.952803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.952803 (E_RNA)
where:
Base-Base interactions energy: -129.899
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.005
local terms energy: -64.049452
where:
bonds (distance) C4'-P energy: -6.198
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -11.937
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -157.650877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.650877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.650877 (E_RNA)
where:
Base-Base interactions energy: -98.691
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.802
local terms energy: -58.158112
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -14.073
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)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -152.323199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.323199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.323199 (E_RNA)
where:
Base-Base interactions energy: -99.557
where: short stacking energy: -41.774
Base-Backbone interact. energy: -0.110
local terms energy: -52.656118
where:
bonds (distance) C4'-P energy: -5.027
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -82.454163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.454163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.454163 (E_RNA)
where:
Base-Base interactions energy: -25.157
where: short stacking energy: -25.157
Base-Backbone interact. energy: -0.261
local terms energy: -57.036299
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -10.100
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: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -264.109885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.109885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.109885 (E_RNA)
where:
Base-Base interactions energy: -186.330
where: short stacking energy: -77.212
Base-Backbone interact. energy: -1.444
local terms energy: -76.335726
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -15.878
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: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -264.760328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.760328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.760328 (E_RNA)
where:
Base-Base interactions energy: -180.959
where: short stacking energy: -73.449
Base-Backbone interact. energy: 0.023
local terms energy: -83.824412
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -261.052658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.052658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.052658 (E_RNA)
where:
Base-Base interactions energy: -171.514
where: short stacking energy: -71.910
Base-Backbone interact. energy: -2.299
local terms energy: -87.239277
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -260.910267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.910267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.910267 (E_RNA)
where:
Base-Base interactions energy: -178.026
where: short stacking energy: -74.760
Base-Backbone interact. energy: -0.013
local terms energy: -82.870899
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -218.204198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.204198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.204198 (E_RNA)
where:
Base-Base interactions energy: -147.335
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.157
local terms energy: -70.711772
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -14.039
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: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -205.203175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.203175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.203175 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.120
local terms energy: -68.480616
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -169.311665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.311665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.311665 (E_RNA)
where:
Base-Base interactions energy: -110.478
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.164
local terms energy: -58.669437
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -156.407491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.407491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.407491 (E_RNA)
where:
Base-Base interactions energy: -93.512
where: short stacking energy: -50.592
Base-Backbone interact. energy: -0.452
local terms energy: -62.443882
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -148.709886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.709886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.709886 (E_RNA)
where:
Base-Base interactions energy: -93.062
where: short stacking energy: -43.106
Base-Backbone interact. energy: -0.642
local terms energy: -55.006561
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -79.835321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.835321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.835321 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.042
local terms energy: -47.698482
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -265.190294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.190294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.190294 (E_RNA)
where:
Base-Base interactions energy: -182.581
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.991
local terms energy: -81.618340
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -23.609
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -260.229389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.229389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.229389 (E_RNA)
where:
Base-Base interactions energy: -181.321
where: short stacking energy: -77.210
Base-Backbone interact. energy: -1.502
local terms energy: -77.406157
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -267.871799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.871799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.871799 (E_RNA)
where:
Base-Base interactions energy: -182.609
where: short stacking energy: -73.630
Base-Backbone interact. energy: -1.371
local terms energy: -83.891264
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -230.916605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.916605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.916605 (E_RNA)
where:
Base-Base interactions energy: -159.459
where: short stacking energy: -61.256
Base-Backbone interact. energy: 2.191
local terms energy: -73.648586
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -260.361798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.361798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.361798 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -73.408
Base-Backbone interact. energy: -0.283
local terms energy: -72.215469
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -231.311383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.311383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.311383 (E_RNA)
where:
Base-Base interactions energy: -161.276
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.305
local terms energy: -69.729815
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -152.976098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.976098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.976098 (E_RNA)
where:
Base-Base interactions energy: -100.369
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.080
local terms energy: -52.527471
where:
bonds (distance) C4'-P energy: -6.145
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -161.431825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.431825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.431825 (E_RNA)
where:
Base-Base interactions energy: -101.257
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.211
local terms energy: -59.963712
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -9.674
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: 399
Temperature: 1.300000
Total energy: -150.907526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.907526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.907526 (E_RNA)
where:
Base-Base interactions energy: -88.735
where: short stacking energy: -48.859
Base-Backbone interact. energy: 0.427
local terms energy: -62.599040
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -9.474
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: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -91.589214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.589214 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.181
local terms energy: -54.436978
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -6.607
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -8.829
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: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -268.534704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.534704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.534704 (E_RNA)
where:
Base-Base interactions energy: -181.355
where: short stacking energy: -79.372
Base-Backbone interact. energy: -1.509
local terms energy: -85.670627
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -23.701
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: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -263.039164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.039164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.039164 (E_RNA)
where:
Base-Base interactions energy: -184.569
where: short stacking energy: -73.920
Base-Backbone interact. energy: -1.318
local terms energy: -77.152772
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -261.843435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.843435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.843435 (E_RNA)
where:
Base-Base interactions energy: -181.632
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.665
local terms energy: -79.546472
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -219.685692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.685692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.685692 (E_RNA)
where:
Base-Base interactions energy: -148.889
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.773
local terms energy: -70.023082
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -262.729814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.729814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.729814 (E_RNA)
where:
Base-Base interactions energy: -191.561
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.004
local terms energy: -71.165414
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -17.168
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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -221.459629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.459629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.459629 (E_RNA)
where:
Base-Base interactions energy: -147.546
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.432
local terms energy: -73.480991
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -153.680336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.680336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.680336 (E_RNA)
where:
Base-Base interactions energy: -100.108
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.298
local terms energy: -53.274176
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -151.749458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.749458 (E_RNA)
where:
Base-Base interactions energy: -96.639
where: short stacking energy: -52.859
Base-Backbone interact. energy: 0.702
local terms energy: -55.811836
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -12.286
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: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -159.485778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.485778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.485778 (E_RNA)
where:
Base-Base interactions energy: -106.168
where: short stacking energy: -43.371
Base-Backbone interact. energy: -0.175
local terms energy: -53.142460
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -108.263257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.263257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.263257 (E_RNA)
where:
Base-Base interactions energy: -61.609
where: short stacking energy: -32.551
Base-Backbone interact. energy: 0.670
local terms energy: -47.324562
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -273.220413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.220413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.220413 (E_RNA)
where:
Base-Base interactions energy: -188.714
where: short stacking energy: -80.630
Base-Backbone interact. energy: -1.402
local terms energy: -83.104559
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -264.659779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.659779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.659779 (E_RNA)
where:
Base-Base interactions energy: -181.165
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.653
local terms energy: -82.841832
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -261.135420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.135420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.135420 (E_RNA)
where:
Base-Base interactions energy: -179.279
where: short stacking energy: -75.691
Base-Backbone interact. energy: -1.706
local terms energy: -80.149868
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -21.080
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: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -270.979537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.979537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.979537 (E_RNA)
where:
Base-Base interactions energy: -189.770
where: short stacking energy: -75.983
Base-Backbone interact. energy: -0.035
local terms energy: -81.174359
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -200.166902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.166902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.166902 (E_RNA)
where:
Base-Base interactions energy: -139.256
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.460
local terms energy: -60.451333
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -221.345809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.345809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.345809 (E_RNA)
where:
Base-Base interactions energy: -150.791
where: short stacking energy: -62.053
Base-Backbone interact. energy: -0.273
local terms energy: -70.281853
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -15.139
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: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -162.565012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.565012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.565012 (E_RNA)
where:
Base-Base interactions energy: -97.588
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.111
local terms energy: -64.865487
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -156.857707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.857707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.857707 (E_RNA)
where:
Base-Base interactions energy: -95.598
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.018
local terms energy: -61.240981
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -136.210369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.210369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.210369 (E_RNA)
where:
Base-Base interactions energy: -80.620
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.020
local terms energy: -55.570278
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -5.403
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: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -79.454597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454597 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -15.580
Base-Backbone interact. energy: -0.227
local terms energy: -45.267885
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: 4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -273.464832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.464832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.464832 (E_RNA)
where:
Base-Base interactions energy: -192.046
where: short stacking energy: -80.967
Base-Backbone interact. energy: -1.899
local terms energy: -79.519798
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.137
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)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -259.733645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.733645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.733645 (E_RNA)
where:
Base-Base interactions energy: -175.946
where: short stacking energy: -70.691
Base-Backbone interact. energy: -1.270
local terms energy: -82.517833
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -272.720329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.720329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.720329 (E_RNA)
where:
Base-Base interactions energy: -205.589
where: short stacking energy: -81.185
Base-Backbone interact. energy: -0.079
local terms energy: -67.052077
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -7.988
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -264.430168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.430168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.430168 (E_RNA)
where:
Base-Base interactions energy: -187.024
where: short stacking energy: -72.402
Base-Backbone interact. energy: -0.014
local terms energy: -77.392267
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -215.138891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.138891 (E_RNA)
where:
Base-Base interactions energy: -139.786
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.405
local terms energy: -74.947896
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -198.258237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.258237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.258237 (E_RNA)
where:
Base-Base interactions energy: -130.851
where: short stacking energy: -43.825
Base-Backbone interact. energy: 0.037
local terms energy: -67.444888
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.322
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: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -164.275895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.275895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.275895 (E_RNA)
where:
Base-Base interactions energy: -93.336
where: short stacking energy: -49.468
Base-Backbone interact. energy: -1.005
local terms energy: -69.935266
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -13.743
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: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -158.946061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.946061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.946061 (E_RNA)
where:
Base-Base interactions energy: -100.264
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.200
local terms energy: -58.481795
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -154.903184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.903184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.903184 (E_RNA)
where:
Base-Base interactions energy: -87.190
where: short stacking energy: -43.454
Base-Backbone interact. energy: -0.043
local terms energy: -67.670168
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -76.242188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.242188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.242188 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.068
local terms energy: -44.735109
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -4.880
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -272.671169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.671169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.671169 (E_RNA)
where:
Base-Base interactions energy: -184.600
where: short stacking energy: -74.447
Base-Backbone interact. energy: -1.369
local terms energy: -86.702226
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -23.432
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: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -270.257182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.257182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.257182 (E_RNA)
where:
Base-Base interactions energy: -194.651
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.021
local terms energy: -75.585090
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -277.957288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.957288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.957288 (E_RNA)
where:
Base-Base interactions energy: -194.756
where: short stacking energy: -75.275
Base-Backbone interact. energy: -0.021
local terms energy: -83.180080
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -253.750002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.750002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.750002 (E_RNA)
where:
Base-Base interactions energy: -174.539
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.012
local terms energy: -79.199344
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -8.925
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: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -221.622912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.622912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.622912 (E_RNA)
where:
Base-Base interactions energy: -154.491
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.367
local terms energy: -66.764556
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -13.508
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: 403
Temperature: 1.150000
Total energy: -167.887302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.887302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.887302 (E_RNA)
where:
Base-Base interactions energy: -103.004
where: short stacking energy: -56.705
Base-Backbone interact. energy: -0.079
local terms energy: -64.804396
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -10.464
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: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -200.880714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.880714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.880714 (E_RNA)
where:
Base-Base interactions energy: -139.081
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.535
local terms energy: -61.264527
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -160.480606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.480606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.480606 (E_RNA)
where:
Base-Base interactions energy: -93.661
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.135
local terms energy: -66.683888
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -11.753
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: 403
Temperature: 1.300000
Total energy: -161.701823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.701823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.701823 (E_RNA)
where:
Base-Base interactions energy: -105.805
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.105
local terms energy: -55.792729
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -78.378553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.378553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.378553 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -27.379
Base-Backbone interact. energy: -0.212
local terms energy: -46.264524
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -9.234
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -269.961914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.961914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.961914 (E_RNA)
where:
Base-Base interactions energy: -185.079
where: short stacking energy: -78.330
Base-Backbone interact. energy: -1.307
local terms energy: -83.576592
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -264.611462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.611462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.611462 (E_RNA)
where:
Base-Base interactions energy: -188.001
where: short stacking energy: -70.099
Base-Backbone interact. energy: -0.078
local terms energy: -76.532067
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -21.465
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: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -263.109060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.109060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.109060 (E_RNA)
where:
Base-Base interactions energy: -178.664
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.316
local terms energy: -84.128109
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -254.924288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.924288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.924288 (E_RNA)
where:
Base-Base interactions energy: -179.324
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.062
local terms energy: -75.538246
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -224.582585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.582585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.582585 (E_RNA)
where:
Base-Base interactions energy: -157.631
where: short stacking energy: -67.318
Base-Backbone interact. energy: -0.538
local terms energy: -66.413478
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -17.985
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: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -183.035457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.035457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.035457 (E_RNA)
where:
Base-Base interactions energy: -114.123
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.011
local terms energy: -68.901554
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.336
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)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -155.630367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.630367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.630367 (E_RNA)
where:
Base-Base interactions energy: -91.092
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.299
local terms energy: -64.238848
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -195.704580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.704580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.704580 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -48.122
Base-Backbone interact. energy: -0.201
local terms energy: -61.472820
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -150.114862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.114862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.114862 (E_RNA)
where:
Base-Base interactions energy: -90.937
where: short stacking energy: -42.864
Base-Backbone interact. energy: -0.134
local terms energy: -59.044160
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -82.616021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.616021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.616021 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -36.896
Base-Backbone interact. energy: 1.311
local terms energy: -47.031380
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -273.889664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.889664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.889664 (E_RNA)
where:
Base-Base interactions energy: -188.939
where: short stacking energy: -80.236
Base-Backbone interact. energy: -0.714
local terms energy: -84.236616
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -22.338
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -262.617870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.617870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.617870 (E_RNA)
where:
Base-Base interactions energy: -185.766
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.005
local terms energy: -76.846568
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -258.468290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.468290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.468290 (E_RNA)
where:
Base-Base interactions energy: -182.304
where: short stacking energy: -68.665
Base-Backbone interact. energy: -0.190
local terms energy: -75.974465
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -213.324201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.324201 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.158
local terms energy: -68.412020
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -11.595
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: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -263.584068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.584068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.584068 (E_RNA)
where:
Base-Base interactions energy: -180.386
where: short stacking energy: -72.452
Base-Backbone interact. energy: -1.890
local terms energy: -81.308222
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -162.977898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.977898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.977898 (E_RNA)
where:
Base-Base interactions energy: -113.760
where: short stacking energy: -53.517
Base-Backbone interact. energy: 0.370
local terms energy: -49.587133
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -153.347107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.347107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.347107 (E_RNA)
where:
Base-Base interactions energy: -97.842
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.179
local terms energy: -55.325862
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -144.083772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.083772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.083772 (E_RNA)
where:
Base-Base interactions energy: -86.340
where: short stacking energy: -41.869
Base-Backbone interact. energy: -0.864
local terms energy: -56.879485
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -157.753448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.753448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.753448 (E_RNA)
where:
Base-Base interactions energy: -97.882
where: short stacking energy: -40.462
Base-Backbone interact. energy: -1.534
local terms energy: -58.337521
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -9.272
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: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.015408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.015408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.015408 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.140
local terms energy: -44.675849
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -269.864751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.864751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.864751 (E_RNA)
where:
Base-Base interactions energy: -183.429
where: short stacking energy: -80.515
Base-Backbone interact. energy: -1.298
local terms energy: -85.137422
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -24.285
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: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -267.744431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.744431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.744431 (E_RNA)
where:
Base-Base interactions energy: -188.259
where: short stacking energy: -78.810
Base-Backbone interact. energy: -0.039
local terms energy: -79.446474
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -21.382
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: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -268.030030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.030030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.030030 (E_RNA)
where:
Base-Base interactions energy: -181.360
where: short stacking energy: -76.773
Base-Backbone interact. energy: 0.117
local terms energy: -86.786501
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -23.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -220.149537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.149537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.149537 (E_RNA)
where:
Base-Base interactions energy: -155.992
where: short stacking energy: -60.940
Base-Backbone interact. energy: -0.185
local terms energy: -63.972323
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -251.789122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.789122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.789122 (E_RNA)
where:
Base-Base interactions energy: -178.014
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.086
local terms energy: -73.689239
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -175.744917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.744917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.744917 (E_RNA)
where:
Base-Base interactions energy: -106.357
where: short stacking energy: -58.949
Base-Backbone interact. energy: 0.917
local terms energy: -70.304811
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -156.553002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.553002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.553002 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -54.254
Base-Backbone interact. energy: 0.305
local terms energy: -58.283824
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -167.230715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.230715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.230715 (E_RNA)
where:
Base-Base interactions energy: -105.424
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.128
local terms energy: -61.678585
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -3.208
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: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -158.848874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.848874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.848874 (E_RNA)
where:
Base-Base interactions energy: -100.918
where: short stacking energy: -51.785
Base-Backbone interact. energy: -0.032
local terms energy: -57.898282
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -142.290894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.290894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.290894 (E_RNA)
where:
Base-Base interactions energy: -82.941
where: short stacking energy: -36.132
Base-Backbone interact. energy: 2.112
local terms energy: -61.462091
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -265.707725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.707725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.707725 (E_RNA)
where:
Base-Base interactions energy: -189.402
where: short stacking energy: -81.648
Base-Backbone interact. energy: 1.453
local terms energy: -77.758517
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -266.607483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.607483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.607483 (E_RNA)
where:
Base-Base interactions energy: -183.968
where: short stacking energy: -77.797
Base-Backbone interact. energy: -1.267
local terms energy: -81.372742
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -251.610268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.610268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.610268 (E_RNA)
where:
Base-Base interactions energy: -182.394
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.142
local terms energy: -69.073374
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -255.051607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.051607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.051607 (E_RNA)
where:
Base-Base interactions energy: -176.807
where: short stacking energy: -64.232
Base-Backbone interact. energy: -0.132
local terms energy: -78.112111
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -218.207375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.207375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.207375 (E_RNA)
where:
Base-Base interactions energy: -149.597
where: short stacking energy: -58.019
Base-Backbone interact. energy: 0.728
local terms energy: -69.337725
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -4.375
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: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -160.380859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.380859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.380859 (E_RNA)
where:
Base-Base interactions energy: -98.846
where: short stacking energy: -53.644
Base-Backbone interact. energy: -0.270
local terms energy: -61.264930
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -158.433249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.433249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.433249 (E_RNA)
where:
Base-Base interactions energy: -97.022
where: short stacking energy: -43.807
Base-Backbone interact. energy: 0.944
local terms energy: -62.355525
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -174.818434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.818434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.818434 (E_RNA)
where:
Base-Base interactions energy: -116.108
where: short stacking energy: -65.465
Base-Backbone interact. energy: -0.007
local terms energy: -58.702603
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -166.638035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.638035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.638035 (E_RNA)
where:
Base-Base interactions energy: -114.350
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.692
local terms energy: -51.595983
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -139.878375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.878375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.878375 (E_RNA)
where:
Base-Base interactions energy: -92.302
where: short stacking energy: -37.495
Base-Backbone interact. energy: 0.756
local terms energy: -48.332538
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -268.660133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.660133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.660133 (E_RNA)
where:
Base-Base interactions energy: -184.888
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.402
local terms energy: -83.369787
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -13.731
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: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -260.079145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.079145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.079145 (E_RNA)
where:
Base-Base interactions energy: -172.688
where: short stacking energy: -79.100
Base-Backbone interact. energy: -1.292
local terms energy: -86.098867
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -22.371
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: 408
Temperature: 1.000000
Total energy: -259.644617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.644617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.644617 (E_RNA)
where:
Base-Base interactions energy: -180.238
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.596
local terms energy: -78.810958
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -20.603
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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -251.415892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.415892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.415892 (E_RNA)
where:
Base-Base interactions energy: -178.130
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.355
local terms energy: -72.930847
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.997768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.997768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.997768 (E_RNA)
where:
Base-Base interactions energy: -112.411
where: short stacking energy: -59.356
Base-Backbone interact. energy: 0.515
local terms energy: -71.101936
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -208.277913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277913 (E_RNA)
where:
Base-Base interactions energy: -144.802
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.383
local terms energy: -63.093505
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -168.307580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.307580 (E_RNA)
where:
Base-Base interactions energy: -107.770
where: short stacking energy: -52.752
Base-Backbone interact. energy: -0.311
local terms energy: -60.226661
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -7.923
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -146.869560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.869560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.869560 (E_RNA)
where:
Base-Base interactions energy: -88.796
where: short stacking energy: -47.946
Base-Backbone interact. energy: -0.203
local terms energy: -57.870010
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -9.897
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -148.272757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.272757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.272757 (E_RNA)
where:
Base-Base interactions energy: -94.140
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.059
local terms energy: -54.073649
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -122.828268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.828268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.828268 (E_RNA)
where:
Base-Base interactions energy: -64.480
where: short stacking energy: -33.751
Base-Backbone interact. energy: -0.169
local terms energy: -58.178958
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -264.482496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.482496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.482496 (E_RNA)
where:
Base-Base interactions energy: -185.888
where: short stacking energy: -79.825
Base-Backbone interact. energy: -0.836
local terms energy: -77.758103
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -256.561322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.561322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.561322 (E_RNA)
where:
Base-Base interactions energy: -173.565
where: short stacking energy: -66.291
Base-Backbone interact. energy: -0.216
local terms energy: -82.780225
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -18.064
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -258.454773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.454773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.454773 (E_RNA)
where:
Base-Base interactions energy: -188.279
where: short stacking energy: -74.336
Base-Backbone interact. energy: -0.624
local terms energy: -69.551251
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -18.741
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: 409
Temperature: 1.050000
Total energy: -261.451853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.451853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.451853 (E_RNA)
where:
Base-Base interactions energy: -189.250
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.295
local terms energy: -71.906833
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -8.615
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: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -174.907091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.907091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.907091 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.436
local terms energy: -71.440570
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -173.534740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.534740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.534740 (E_RNA)
where:
Base-Base interactions energy: -100.362
where: short stacking energy: -50.771
Base-Backbone interact. energy: -0.106
local terms energy: -73.066696
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -228.119280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.119280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.119280 (E_RNA)
where:
Base-Base interactions energy: -154.195
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.215
local terms energy: -73.708498
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -155.236288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.236288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.236288 (E_RNA)
where:
Base-Base interactions energy: -101.008
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.116
local terms energy: -54.112603
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -9.389
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: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -147.851769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.851769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.851769 (E_RNA)
where:
Base-Base interactions energy: -93.784
where: short stacking energy: -44.735
Base-Backbone interact. energy: 0.255
local terms energy: -54.323442
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -86.664926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664926 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -34.814
Base-Backbone interact. energy: -0.100
local terms energy: -49.636995
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -276.298062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.298062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.298062 (E_RNA)
where:
Base-Base interactions energy: -192.415
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.462
local terms energy: -83.420237
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -258.360726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360726 (E_RNA)
where:
Base-Base interactions energy: -173.483
where: short stacking energy: -77.529
Base-Backbone interact. energy: -0.638
local terms energy: -84.239949
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -256.678383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.678383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.678383 (E_RNA)
where:
Base-Base interactions energy: -179.054
where: short stacking energy: -73.374
Base-Backbone interact. energy: -1.457
local terms energy: -76.167177
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -22.426
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: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -264.622108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.622108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.622108 (E_RNA)
where:
Base-Base interactions energy: -191.742
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.047
local terms energy: -72.832847
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -20.311
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -179.719339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.719339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.719339 (E_RNA)
where:
Base-Base interactions energy: -111.642
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.507
local terms energy: -67.569999
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -176.821777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.821777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.821777 (E_RNA)
where:
Base-Base interactions energy: -107.398
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.206
local terms energy: -69.218058
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -215.605827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.605827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.605827 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -58.826
Base-Backbone interact. energy: -1.329
local terms energy: -62.746591
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -14.324
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: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -161.929203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.929203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929203 (E_RNA)
where:
Base-Base interactions energy: -90.558
where: short stacking energy: -50.311
Base-Backbone interact. energy: -0.183
local terms energy: -71.188384
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -152.703009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.703009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.703009 (E_RNA)
where:
Base-Base interactions energy: -100.689
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.411
local terms energy: -51.602685
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -7.272
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -88.229275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.229275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.229275 (E_RNA)
where:
Base-Base interactions energy: -43.892
where: short stacking energy: -41.465
Base-Backbone interact. energy: -0.028
local terms energy: -44.309607
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -269.792382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.792382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.792382 (E_RNA)
where:
Base-Base interactions energy: -192.069
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.114
local terms energy: -77.609557
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -261.202818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.202818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.202818 (E_RNA)
where:
Base-Base interactions energy: -179.777
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.277
local terms energy: -81.148695
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -259.805778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.805778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.805778 (E_RNA)
where:
Base-Base interactions energy: -178.827
where: short stacking energy: -66.014
Base-Backbone interact. energy: -0.121
local terms energy: -80.857872
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -18.851
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: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -273.046516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.046516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.046516 (E_RNA)
where:
Base-Base interactions energy: -197.696
where: short stacking energy: -78.727
Base-Backbone interact. energy: -1.011
local terms energy: -74.339842
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -175.532637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.532637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.532637 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -54.373
Base-Backbone interact. energy: 0.837
local terms energy: -68.354691
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -212.996052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.996052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.996052 (E_RNA)
where:
Base-Base interactions energy: -146.820
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.214
local terms energy: -65.962907
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -162.219024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.219024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.219024 (E_RNA)
where:
Base-Base interactions energy: -96.407
where: short stacking energy: -48.616
Base-Backbone interact. energy: -0.167
local terms energy: -65.645378
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -150.677409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.677409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.677409 (E_RNA)
where:
Base-Base interactions energy: -89.251
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.542
local terms energy: -60.884121
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -13.157
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: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -165.801911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.801911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.801911 (E_RNA)
where:
Base-Base interactions energy: -98.822
where: short stacking energy: -53.552
Base-Backbone interact. energy: -0.140
local terms energy: -66.840522
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -90.995409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995409 (E_RNA)
where:
Base-Base interactions energy: -48.629
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.549
local terms energy: -41.817499
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -261.969999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.969999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.969999 (E_RNA)
where:
Base-Base interactions energy: -185.757
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.837
local terms energy: -75.376188
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -21.538
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -265.891740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.891740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.891740 (E_RNA)
where:
Base-Base interactions energy: -179.706
where: short stacking energy: -76.437
Base-Backbone interact. energy: -0.012
local terms energy: -86.174683
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -22.198
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: 412
Temperature: 1.000000
Total energy: -263.856826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.856826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.856826 (E_RNA)
where:
Base-Base interactions energy: -183.000
where: short stacking energy: -73.592
Base-Backbone interact. energy: -0.002
local terms energy: -80.855139
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -249.779283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.779283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.779283 (E_RNA)
where:
Base-Base interactions energy: -179.456
where: short stacking energy: -67.963
Base-Backbone interact. energy: -1.263
local terms energy: -69.060157
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -214.375533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.375533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.375533 (E_RNA)
where:
Base-Base interactions energy: -145.025
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.219
local terms energy: -69.131881
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -170.419126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.419126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.419126 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -51.402
Base-Backbone interact. energy: 0.614
local terms energy: -75.106620
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -15.268
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -160.238175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.238175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.238175 (E_RNA)
where:
Base-Base interactions energy: -94.281
where: short stacking energy: -49.370
Base-Backbone interact. energy: 1.605
local terms energy: -67.561803
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -8.772
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: 412
Temperature: 1.250000
Total energy: -146.975637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.975637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.975637 (E_RNA)
where:
Base-Base interactions energy: -87.598
where: short stacking energy: -42.010
Base-Backbone interact. energy: -0.671
local terms energy: -58.706891
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -151.464258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.464258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.464258 (E_RNA)
where:
Base-Base interactions energy: -99.681
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.099
local terms energy: -51.684243
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -9.823
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: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -88.625981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.625981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.625981 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -37.235
Base-Backbone interact. energy: -0.128
local terms energy: -51.249504
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -9.980
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: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -264.988295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.988295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.988295 (E_RNA)
where:
Base-Base interactions energy: -194.573
where: short stacking energy: -77.836
Base-Backbone interact. energy: -0.302
local terms energy: -70.112962
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -266.001805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.001805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.001805 (E_RNA)
where:
Base-Base interactions energy: -190.032
where: short stacking energy: -80.384
Base-Backbone interact. energy: -0.114
local terms energy: -75.856124
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.371
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: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -267.055764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.055764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.055764 (E_RNA)
where:
Base-Base interactions energy: -190.967
where: short stacking energy: -77.082
Base-Backbone interact. energy: -0.580
local terms energy: -75.508852
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -23.073
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: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -251.159339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.159339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.159339 (E_RNA)
where:
Base-Base interactions energy: -170.693
where: short stacking energy: -62.880
Base-Backbone interact. energy: 0.476
local terms energy: -80.942133
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -14.492
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: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -221.789335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789335 (E_RNA)
where:
Base-Base interactions energy: -150.346
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.947
local terms energy: -70.496514
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -16.503
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -177.155926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.155926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.155926 (E_RNA)
where:
Base-Base interactions energy: -101.207
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.094
local terms energy: -75.854842
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -16.094
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: 413
Temperature: 1.200000
Total energy: -171.179709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.179709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.179709 (E_RNA)
where:
Base-Base interactions energy: -108.253
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.309
local terms energy: -62.616845
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -158.427485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.427485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.427485 (E_RNA)
where:
Base-Base interactions energy: -98.478
where: short stacking energy: -43.479
Base-Backbone interact. energy: -1.458
local terms energy: -58.491562
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -10.075
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: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -144.652721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.652721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.652721 (E_RNA)
where:
Base-Base interactions energy: -78.121
where: short stacking energy: -43.645
Base-Backbone interact. energy: -0.829
local terms energy: -65.702745
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -93.651099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.651099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.651099 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.093
local terms energy: -56.736740
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.610
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: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -268.263642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.263642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.263642 (E_RNA)
where:
Base-Base interactions energy: -194.782
where: short stacking energy: -80.995
Base-Backbone interact. energy: -0.035
local terms energy: -73.446573
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -21.523
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -272.254623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.254623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.254623 (E_RNA)
where:
Base-Base interactions energy: -199.994
where: short stacking energy: -72.805
Base-Backbone interact. energy: -0.321
local terms energy: -71.940284
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -21.922
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: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -261.513115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.513115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.513115 (E_RNA)
where:
Base-Base interactions energy: -181.787
where: short stacking energy: -75.576
Base-Backbone interact. energy: 0.086
local terms energy: -79.812169
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -21.399
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: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -252.232679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.232679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.232679 (E_RNA)
where:
Base-Base interactions energy: -182.660
where: short stacking energy: -71.726
Base-Backbone interact. energy: -1.167
local terms energy: -68.406022
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -216.395890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.395890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.395890 (E_RNA)
where:
Base-Base interactions energy: -148.110
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.211
local terms energy: -68.074968
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -169.999060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.999060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.999060 (E_RNA)
where:
Base-Base interactions energy: -113.441
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.129
local terms energy: -56.429047
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -12.548
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: 414
Temperature: 1.200000
Total energy: -159.682897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.682897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.682897 (E_RNA)
where:
Base-Base interactions energy: -98.799
where: short stacking energy: -43.713
Base-Backbone interact. energy: 0.345
local terms energy: -61.229144
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -7.016
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: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -152.866052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.866052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.866052 (E_RNA)
where:
Base-Base interactions energy: -91.465
where: short stacking energy: -47.266
Base-Backbone interact. energy: -0.132
local terms energy: -61.269172
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -130.695123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.695123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.695123 (E_RNA)
where:
Base-Base interactions energy: -79.073
where: short stacking energy: -37.258
Base-Backbone interact. energy: -0.324
local terms energy: -51.298666
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -88.642649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.642649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.642649 (E_RNA)
where:
Base-Base interactions energy: -38.567
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.720
local terms energy: -49.355146
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -275.527355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.527355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.527355 (E_RNA)
where:
Base-Base interactions energy: -195.482
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.796
local terms energy: -79.249083
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -265.326666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.326666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.326666 (E_RNA)
where:
Base-Base interactions energy: -193.893
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.086
local terms energy: -71.347525
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -20.392
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: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -253.009717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.009717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.009717 (E_RNA)
where:
Base-Base interactions energy: -180.455
where: short stacking energy: -67.176
Base-Backbone interact. energy: -0.850
local terms energy: -71.704385
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -248.828258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.828258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.828258 (E_RNA)
where:
Base-Base interactions energy: -177.807
where: short stacking energy: -60.041
Base-Backbone interact. energy: 0.171
local terms energy: -71.191787
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -14.026
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: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -227.842103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.842103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.842103 (E_RNA)
where:
Base-Base interactions energy: -160.248
where: short stacking energy: -60.658
Base-Backbone interact. energy: 2.315
local terms energy: -69.909173
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -18.303
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: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -168.491395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.491395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.491395 (E_RNA)
where:
Base-Base interactions energy: -100.435
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.550
local terms energy: -67.506239
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -161.516420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.516420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.516420 (E_RNA)
where:
Base-Base interactions energy: -94.909
where: short stacking energy: -48.399
Base-Backbone interact. energy: -0.215
local terms energy: -66.392867
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -176.935867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.935867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.935867 (E_RNA)
where:
Base-Base interactions energy: -105.993
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.582
local terms energy: -70.361664
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -12.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -145.251601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.251601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.251601 (E_RNA)
where:
Base-Base interactions energy: -85.336
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.100
local terms energy: -59.815811
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -9.542
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: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -84.494404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.494404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.494404 (E_RNA)
where:
Base-Base interactions energy: -37.841
where: short stacking energy: -32.470
Base-Backbone interact. energy: 1.180
local terms energy: -47.833881
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -272.221493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.221493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.221493 (E_RNA)
where:
Base-Base interactions energy: -188.673
where: short stacking energy: -82.419
Base-Backbone interact. energy: -0.909
local terms energy: -82.639279
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -20.952
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: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -277.931355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.931355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.931355 (E_RNA)
where:
Base-Base interactions energy: -190.111
where: short stacking energy: -77.226
Base-Backbone interact. energy: -1.266
local terms energy: -86.554401
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -19.136
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: 416
Temperature: 1.000000
Total energy: -250.878869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.878869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.878869 (E_RNA)
where:
Base-Base interactions energy: -183.541
where: short stacking energy: -63.985
Base-Backbone interact. energy: -0.347
local terms energy: -66.990028
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -12.417
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: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -253.695364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.695364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.695364 (E_RNA)
where:
Base-Base interactions energy: -184.478
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.067
local terms energy: -69.150519
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -16.922
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: 416
Temperature: 1.100000
Total energy: -218.550846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.550846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.550846 (E_RNA)
where:
Base-Base interactions energy: -145.013
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.275
local terms energy: -73.262230
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -9.466
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: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -161.727731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.727731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.727731 (E_RNA)
where:
Base-Base interactions energy: -99.307
where: short stacking energy: -48.116
Base-Backbone interact. energy: -0.966
local terms energy: -61.454654
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -153.030551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.030551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.030551 (E_RNA)
where:
Base-Base interactions energy: -95.366
where: short stacking energy: -43.425
Base-Backbone interact. energy: -1.680
local terms energy: -55.983963
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -148.003999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.003999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.003999 (E_RNA)
where:
Base-Base interactions energy: -95.944
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.181
local terms energy: -51.878688
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -158.940779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.940779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.940779 (E_RNA)
where:
Base-Base interactions energy: -96.282
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.049
local terms energy: -62.610026
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -12.555
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: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -80.019529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.019529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.019529 (E_RNA)
where:
Base-Base interactions energy: -34.321
where: short stacking energy: -31.067
Base-Backbone interact. energy: 0.292
local terms energy: -45.989943
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: 1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -265.401964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.401964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.401964 (E_RNA)
where:
Base-Base interactions energy: -184.707
where: short stacking energy: -77.832
Base-Backbone interact. energy: -1.255
local terms energy: -79.439838
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -254.824488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.824488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.824488 (E_RNA)
where:
Base-Base interactions energy: -178.850
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.011
local terms energy: -75.962855
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.065
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -263.187517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.187517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.187517 (E_RNA)
where:
Base-Base interactions energy: -177.897
where: short stacking energy: -78.912
Base-Backbone interact. energy: -0.394
local terms energy: -84.897159
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -23.851
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: 417
Temperature: 1.050000
Total energy: -255.043614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.043614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.043614 (E_RNA)
where:
Base-Base interactions energy: -185.935
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.444
local terms energy: -68.664807
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -19.173
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: 417
Temperature: 1.100000
Total energy: -225.968659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968659 (E_RNA)
where:
Base-Base interactions energy: -153.467
where: short stacking energy: -67.489
Base-Backbone interact. energy: -0.109
local terms energy: -72.393044
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -14.977
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: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -165.546746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.546746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.546746 (E_RNA)
where:
Base-Base interactions energy: -100.864
where: short stacking energy: -51.369
Base-Backbone interact. energy: 0.381
local terms energy: -65.062813
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -162.782243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.782243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.782243 (E_RNA)
where:
Base-Base interactions energy: -100.096
where: short stacking energy: -52.221
Base-Backbone interact. energy: -0.244
local terms energy: -62.442285
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -138.670872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.670872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.670872 (E_RNA)
where:
Base-Base interactions energy: -87.181
where: short stacking energy: -33.993
Base-Backbone interact. energy: -1.510
local terms energy: -49.980458
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: 0.204
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -142.545104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.545104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.545104 (E_RNA)
where:
Base-Base interactions energy: -83.610
where: short stacking energy: -34.523
Base-Backbone interact. energy: -0.318
local terms energy: -58.616510
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -90.444982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444982 (E_RNA)
where:
Base-Base interactions energy: -38.095
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.289
local terms energy: -52.061301
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -269.837963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.837963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.837963 (E_RNA)
where:
Base-Base interactions energy: -184.128
where: short stacking energy: -78.517
Base-Backbone interact. energy: -2.033
local terms energy: -83.677081
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -22.764
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: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -256.256424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.256424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.256424 (E_RNA)
where:
Base-Base interactions energy: -177.938
where: short stacking energy: -73.169
Base-Backbone interact. energy: -1.579
local terms energy: -76.739969
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -263.598832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.598832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.598832 (E_RNA)
where:
Base-Base interactions energy: -193.492
where: short stacking energy: -73.723
Base-Backbone interact. energy: 0.059
local terms energy: -70.166294
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -14.303
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -256.969192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.969192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.969192 (E_RNA)
where:
Base-Base interactions energy: -180.047
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.875
local terms energy: -76.047152
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -20.826
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -170.660260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.660260 (E_RNA)
where:
Base-Base interactions energy: -102.324
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.430
local terms energy: -67.906265
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -218.832215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.832215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.832215 (E_RNA)
where:
Base-Base interactions energy: -154.460
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.088
local terms energy: -64.284481
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -174.680211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.680211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.680211 (E_RNA)
where:
Base-Base interactions energy: -108.643
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.007
local terms energy: -66.029948
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -154.203260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.203260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.203260 (E_RNA)
where:
Base-Base interactions energy: -94.392
where: short stacking energy: -44.839
Base-Backbone interact. energy: -0.776
local terms energy: -59.034940
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -96.517427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.517427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.517427 (E_RNA)
where:
Base-Base interactions energy: -35.106
where: short stacking energy: -35.106
Base-Backbone interact. energy: -0.046
local terms energy: -61.364933
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -140.848540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.848540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.848540 (E_RNA)
where:
Base-Base interactions energy: -88.230
where: short stacking energy: -40.501
Base-Backbone interact. energy: -0.713
local terms energy: -51.905963
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -269.736220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.736220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.736220 (E_RNA)
where:
Base-Base interactions energy: -181.901
where: short stacking energy: -80.389
Base-Backbone interact. energy: -0.740
local terms energy: -87.094704
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -276.164475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.164475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.164475 (E_RNA)
where:
Base-Base interactions energy: -200.986
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.044
local terms energy: -75.134409
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -22.084
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -262.399053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.399053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.399053 (E_RNA)
where:
Base-Base interactions energy: -180.237
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.638
local terms energy: -81.524239
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -23.253
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -253.193174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.193174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.193174 (E_RNA)
where:
Base-Base interactions energy: -173.964
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.106
local terms energy: -79.123489
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -22.116
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: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -175.199693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.199693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.199693 (E_RNA)
where:
Base-Base interactions energy: -103.196
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.062
local terms energy: -71.942000
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.345
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: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -204.822798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.822798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.822798 (E_RNA)
where:
Base-Base interactions energy: -139.961
where: short stacking energy: -54.245
Base-Backbone interact. energy: -0.745
local terms energy: -64.116812
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -165.374217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.374217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.374217 (E_RNA)
where:
Base-Base interactions energy: -108.954
where: short stacking energy: -54.494
Base-Backbone interact. energy: 3.132
local terms energy: -59.552533
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -14.114
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: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -147.464282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.464282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.464282 (E_RNA)
where:
Base-Base interactions energy: -93.644
where: short stacking energy: -48.026
Base-Backbone interact. energy: -0.016
local terms energy: -53.804485
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -94.141879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141879 (E_RNA)
where:
Base-Base interactions energy: -34.344
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.164
local terms energy: -59.633288
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -5.827
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: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -150.811154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.811154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.811154 (E_RNA)
where:
Base-Base interactions energy: -94.459
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.196
local terms energy: -56.155638
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -4.966
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: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -272.439343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.439343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.439343 (E_RNA)
where:
Base-Base interactions energy: -202.774
where: short stacking energy: -80.296
Base-Backbone interact. energy: -0.032
local terms energy: -69.633730
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -19.367
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -263.890801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.890801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.890801 (E_RNA)
where:
Base-Base interactions energy: -179.440
where: short stacking energy: -76.287
Base-Backbone interact. energy: -1.082
local terms energy: -83.368687
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -260.962070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.962070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.962070 (E_RNA)
where:
Base-Base interactions energy: -184.155
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.242
local terms energy: -76.564779
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -255.895127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.895127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.895127 (E_RNA)
where:
Base-Base interactions energy: -181.935
where: short stacking energy: -70.485
Base-Backbone interact. energy: -0.176
local terms energy: -73.784311
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -209.427101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.427101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.427101 (E_RNA)
where:
Base-Base interactions energy: -144.237
where: short stacking energy: -61.971
Base-Backbone interact. energy: 0.311
local terms energy: -65.501328
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -11.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -165.883269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.883269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.883269 (E_RNA)
where:
Base-Base interactions energy: -101.092
where: short stacking energy: -54.378
Base-Backbone interact. energy: -1.364
local terms energy: -63.427253
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -153.805483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.805483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.805483 (E_RNA)
where:
Base-Base interactions energy: -102.043
where: short stacking energy: -47.839
Base-Backbone interact. energy: 2.345
local terms energy: -54.108046
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -0.609
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -162.383921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.383921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.383921 (E_RNA)
where:
Base-Base interactions energy: -100.666
where: short stacking energy: -51.825
Base-Backbone interact. energy: -0.301
local terms energy: -61.416911
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.147
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: 420
Temperature: 1.300000
Total energy: -160.938353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.938353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.938353 (E_RNA)
where:
Base-Base interactions energy: -100.048
where: short stacking energy: -47.169
Base-Backbone interact. energy: -0.267
local terms energy: -60.623876
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -112.844953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.844953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.844953 (E_RNA)
where:
Base-Base interactions energy: -57.606
where: short stacking energy: -41.888
Base-Backbone interact. energy: -0.038
local terms energy: -55.200999
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -6.305
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: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -278.170071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.170071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.170071 (E_RNA)
where:
Base-Base interactions energy: -204.049
where: short stacking energy: -76.906
Base-Backbone interact. energy: -0.004
local terms energy: -74.116815
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -19.817
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: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -267.278314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.278314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.278314 (E_RNA)
where:
Base-Base interactions energy: -188.040
where: short stacking energy: -74.607
Base-Backbone interact. energy: -0.099
local terms energy: -79.139704
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -263.365471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.365471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.365471 (E_RNA)
where:
Base-Base interactions energy: -185.590
where: short stacking energy: -76.686
Base-Backbone interact. energy: 0.000
local terms energy: -77.775449
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -261.081864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.081864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.081864 (E_RNA)
where:
Base-Base interactions energy: -179.764
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.967
local terms energy: -80.350666
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -213.397681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.397681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.397681 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.873
local terms energy: -63.630234
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -174.833576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.833576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.833576 (E_RNA)
where:
Base-Base interactions energy: -109.855
where: short stacking energy: -51.704
Base-Backbone interact. energy: -0.102
local terms energy: -64.876263
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -10.851
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: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -169.238076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.238076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.238076 (E_RNA)
where:
Base-Base interactions energy: -104.349
where: short stacking energy: -57.621
Base-Backbone interact. energy: 0.210
local terms energy: -65.099879
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -156.406779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.406779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.406779 (E_RNA)
where:
Base-Base interactions energy: -99.846
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.844
local terms energy: -55.717346
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -144.628078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.628078 (E_RNA)
where:
Base-Base interactions energy: -91.154
where: short stacking energy: -46.797
Base-Backbone interact. energy: 1.519
local terms energy: -54.993823
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -8.255
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -92.906635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.906635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.906635 (E_RNA)
where:
Base-Base interactions energy: -51.109
where: short stacking energy: -18.008
Base-Backbone interact. energy: 0.921
local terms energy: -42.718758
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.849
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -281.880879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.880879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.880879 (E_RNA)
where:
Base-Base interactions energy: -198.691
where: short stacking energy: -83.406
Base-Backbone interact. energy: -0.386
local terms energy: -82.803780
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -257.700675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.700675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.700675 (E_RNA)
where:
Base-Base interactions energy: -181.887
where: short stacking energy: -74.156
Base-Backbone interact. energy: -0.845
local terms energy: -74.968375
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -262.445868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.445868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.445868 (E_RNA)
where:
Base-Base interactions energy: -183.162
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.045
local terms energy: -79.239072
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -254.880546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.880546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.880546 (E_RNA)
where:
Base-Base interactions energy: -176.683
where: short stacking energy: -72.137
Base-Backbone interact. energy: 0.907
local terms energy: -79.104788
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -215.001909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001909 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.159
local terms energy: -71.612316
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -166.454874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454874 (E_RNA)
where:
Base-Base interactions energy: -103.883
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.063
local terms energy: -62.508273
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -168.275480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.275480 (E_RNA)
where:
Base-Base interactions energy: -112.721
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.372
local terms energy: -55.182457
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -147.275905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.275905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.275905 (E_RNA)
where:
Base-Base interactions energy: -94.037
where: short stacking energy: -48.906
Base-Backbone interact. energy: 0.677
local terms energy: -53.915607
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -124.739013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.739013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.739013 (E_RNA)
where:
Base-Base interactions energy: -77.059
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.013
local terms energy: -47.666852
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -142.493711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.493711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.493711 (E_RNA)
where:
Base-Base interactions energy: -81.977
where: short stacking energy: -43.868
Base-Backbone interact. energy: -0.287
local terms energy: -60.229598
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -279.823049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.823049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.823049 (E_RNA)
where:
Base-Base interactions energy: -196.534
where: short stacking energy: -72.898
Base-Backbone interact. energy: -0.005
local terms energy: -83.284072
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -22.574
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: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -253.504005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.504005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.504005 (E_RNA)
where:
Base-Base interactions energy: -183.884
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.185
local terms energy: -69.435643
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -248.923356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.923356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.923356 (E_RNA)
where:
Base-Base interactions energy: -178.195
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.375
local terms energy: -70.353447
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -254.776827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.776827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.776827 (E_RNA)
where:
Base-Base interactions energy: -189.321
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.397
local terms energy: -65.058465
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -13.151
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: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -218.691239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691239 (E_RNA)
where:
Base-Base interactions energy: -145.967
where: short stacking energy: -61.234
Base-Backbone interact. energy: 1.062
local terms energy: -73.786121
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -183.461477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.461477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.461477 (E_RNA)
where:
Base-Base interactions energy: -116.726
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.020
local terms energy: -66.715863
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -17.561
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -172.082193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.082193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.082193 (E_RNA)
where:
Base-Base interactions energy: -104.244
where: short stacking energy: -52.429
Base-Backbone interact. energy: 2.873
local terms energy: -70.711605
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -14.580
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -153.076476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.076476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.076476 (E_RNA)
where:
Base-Base interactions energy: -90.357
where: short stacking energy: -44.122
Base-Backbone interact. energy: -0.404
local terms energy: -62.315229
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -86.189127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189127 (E_RNA)
where:
Base-Base interactions energy: -44.563
where: short stacking energy: -31.113
Base-Backbone interact. energy: -0.058
local terms energy: -41.568373
where:
bonds (distance) C4'-P energy: -5.339
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -139.477916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.477916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.477916 (E_RNA)
where:
Base-Base interactions energy: -72.935
where: short stacking energy: -30.804
Base-Backbone interact. energy: -0.089
local terms energy: -66.454310
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -273.452582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.452582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.452582 (E_RNA)
where:
Base-Base interactions energy: -203.410
where: short stacking energy: -81.240
Base-Backbone interact. energy: -0.048
local terms energy: -69.995040
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -269.138433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.138433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.138433 (E_RNA)
where:
Base-Base interactions energy: -194.518
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.084
local terms energy: -74.537078
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -255.548678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.548678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.548678 (E_RNA)
where:
Base-Base interactions energy: -180.675
where: short stacking energy: -71.805
Base-Backbone interact. energy: 0.546
local terms energy: -75.419261
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -249.739562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.739562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.739562 (E_RNA)
where:
Base-Base interactions energy: -177.813
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.148
local terms energy: -71.778708
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -17.012
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: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -168.593735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.593735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.593735 (E_RNA)
where:
Base-Base interactions energy: -110.804
where: short stacking energy: -56.640
Base-Backbone interact. energy: -0.002
local terms energy: -57.787970
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -11.114
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: 424
Temperature: 1.150000
Total energy: -214.770512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.770512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.770512 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -56.782
Base-Backbone interact. energy: -1.001
local terms energy: -64.201729
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -168.283042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.283042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.283042 (E_RNA)
where:
Base-Base interactions energy: -105.018
where: short stacking energy: -50.836
Base-Backbone interact. energy: -0.465
local terms energy: -62.799306
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -160.030072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.030072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.030072 (E_RNA)
where:
Base-Base interactions energy: -95.682
where: short stacking energy: -51.556
Base-Backbone interact. energy: -0.046
local terms energy: -64.301195
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.705
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: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -154.557550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.557550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.557550 (E_RNA)
where:
Base-Base interactions energy: -94.880
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.002
local terms energy: -59.675820
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -92.597910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597910 (E_RNA)
where:
Base-Base interactions energy: -41.133
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.235
local terms energy: -51.230064
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -271.542355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.542355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.542355 (E_RNA)
where:
Base-Base interactions energy: -197.287
where: short stacking energy: -75.323
Base-Backbone interact. energy: -0.076
local terms energy: -74.179645
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -18.440
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: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -269.733316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.733316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.733316 (E_RNA)
where:
Base-Base interactions energy: -187.812
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.020
local terms energy: -81.901790
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -20.853
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: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -260.793532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.793532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.793532 (E_RNA)
where:
Base-Base interactions energy: -181.396
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.407
local terms energy: -78.990320
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -20.803
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: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -247.474910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.474910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.474910 (E_RNA)
where:
Base-Base interactions energy: -170.744
where: short stacking energy: -62.961
Base-Backbone interact. energy: -1.613
local terms energy: -75.117717
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -167.798683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.798683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.798683 (E_RNA)
where:
Base-Base interactions energy: -105.453
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.227
local terms energy: -62.118277
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -232.042391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.042391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.042391 (E_RNA)
where:
Base-Base interactions energy: -155.068
where: short stacking energy: -66.977
Base-Backbone interact. energy: 0.082
local terms energy: -77.056993
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -18.737
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: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -156.832583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.832583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.832583 (E_RNA)
where:
Base-Base interactions energy: -99.006
where: short stacking energy: -49.992
Base-Backbone interact. energy: -0.033
local terms energy: -57.793459
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -167.380270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.380270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.380270 (E_RNA)
where:
Base-Base interactions energy: -110.473
where: short stacking energy: -63.263
Base-Backbone interact. energy: 0.623
local terms energy: -57.530582
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -158.482706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.482706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.482706 (E_RNA)
where:
Base-Base interactions energy: -100.719
where: short stacking energy: -39.015
Base-Backbone interact. energy: 0.381
local terms energy: -58.144865
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -92.925483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925483 (E_RNA)
where:
Base-Base interactions energy: -49.876
where: short stacking energy: -18.460
Base-Backbone interact. energy: 1.668
local terms energy: -44.717476
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -281.788745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.788745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.788745 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -75.714
Base-Backbone interact. energy: -0.033
local terms energy: -77.253746
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -260.888595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.888595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.888595 (E_RNA)
where:
Base-Base interactions energy: -183.112
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.088
local terms energy: -77.688670
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -22.203
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: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -243.645273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.645273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.645273 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -63.241
Base-Backbone interact. energy: -1.361
local terms energy: -77.039737
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -248.899434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.899434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.899434 (E_RNA)
where:
Base-Base interactions energy: -168.785
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.092
local terms energy: -80.022449
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -210.239121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.239121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.239121 (E_RNA)
where:
Base-Base interactions energy: -147.935
where: short stacking energy: -55.874
Base-Backbone interact. energy: 0.450
local terms energy: -62.754261
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -187.466043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.466043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.466043 (E_RNA)
where:
Base-Base interactions energy: -122.578
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.011
local terms energy: -64.876943
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -19.269
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: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -169.757283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.757283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.757283 (E_RNA)
where:
Base-Base interactions energy: -101.246
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.057
local terms energy: -68.454105
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -11.671
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: 426
Temperature: 1.250000
Total energy: -165.086091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.086091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.086091 (E_RNA)
where:
Base-Base interactions energy: -98.912
where: short stacking energy: -51.171
Base-Backbone interact. energy: -0.231
local terms energy: -65.942862
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -10.796
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: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -153.544325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.544325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.544325 (E_RNA)
where:
Base-Base interactions energy: -88.847
where: short stacking energy: -45.678
Base-Backbone interact. energy: 0.364
local terms energy: -65.060963
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -78.141902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.141902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.141902 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -15.760
Base-Backbone interact. energy: -0.118
local terms energy: -44.482431
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -4.480
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: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -277.253203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.253203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.253203 (E_RNA)
where:
Base-Base interactions energy: -200.086
where: short stacking energy: -76.645
Base-Backbone interact. energy: -0.628
local terms energy: -76.539502
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -263.211059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.211059 (E_RNA)
where:
Base-Base interactions energy: -184.630
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.093
local terms energy: -78.488048
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -20.464
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: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -253.769178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.769178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.769178 (E_RNA)
where:
Base-Base interactions energy: -180.853
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.005
local terms energy: -72.912018
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -24.779
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: 427
Temperature: 1.050000
Total energy: -254.301663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.301663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.301663 (E_RNA)
where:
Base-Base interactions energy: -180.063
where: short stacking energy: -74.301
Base-Backbone interact. energy: -1.889
local terms energy: -72.349443
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -23.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -219.052950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.052950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.052950 (E_RNA)
where:
Base-Base interactions energy: -148.584
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.181
local terms energy: -70.288222
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -167.629385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.629385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.629385 (E_RNA)
where:
Base-Base interactions energy: -97.848
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.391
local terms energy: -69.390813
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -15.073
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: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -163.009695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.009695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.009695 (E_RNA)
where:
Base-Base interactions energy: -97.020
where: short stacking energy: -56.570
Base-Backbone interact. energy: -0.150
local terms energy: -65.839695
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -149.074336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.074336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.074336 (E_RNA)
where:
Base-Base interactions energy: -101.794
where: short stacking energy: -46.357
Base-Backbone interact. energy: 3.104
local terms energy: -50.384352
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -163.026101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.026101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.026101 (E_RNA)
where:
Base-Base interactions energy: -107.703
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.101
local terms energy: -55.222400
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -12.128
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: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.448704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448704 (E_RNA)
where:
Base-Base interactions energy: -41.901
where: short stacking energy: -30.154
Base-Backbone interact. energy: 2.755
local terms energy: -41.302888
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: 0.965
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: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -272.321733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.321733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.321733 (E_RNA)
where:
Base-Base interactions energy: -195.384
where: short stacking energy: -78.836
Base-Backbone interact. energy: -0.010
local terms energy: -76.927696
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -253.801664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.801664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.801664 (E_RNA)
where:
Base-Base interactions energy: -180.577
where: short stacking energy: -70.032
Base-Backbone interact. energy: -0.148
local terms energy: -73.076509
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -15.203
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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -264.510515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.510515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.510515 (E_RNA)
where:
Base-Base interactions energy: -182.176
where: short stacking energy: -74.016
Base-Backbone interact. energy: -1.346
local terms energy: -80.988489
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -24.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -257.595451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.595451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.595451 (E_RNA)
where:
Base-Base interactions energy: -179.014
where: short stacking energy: -76.253
Base-Backbone interact. energy: -0.297
local terms energy: -78.284558
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -23.057
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: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -220.049809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.049809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.049809 (E_RNA)
where:
Base-Base interactions energy: -147.195
where: short stacking energy: -64.090
Base-Backbone interact. energy: -1.123
local terms energy: -71.731536
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -166.284628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.284628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.284628 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.250
local terms energy: -61.364496
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.865
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: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -162.685391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.685391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.685391 (E_RNA)
where:
Base-Base interactions energy: -109.216
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.028
local terms energy: -53.441445
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -158.217479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.217479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.217479 (E_RNA)
where:
Base-Base interactions energy: -95.090
where: short stacking energy: -48.428
Base-Backbone interact. energy: -0.223
local terms energy: -62.903994
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -9.342
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: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -85.799767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.799767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.799767 (E_RNA)
where:
Base-Base interactions energy: -38.223
where: short stacking energy: -38.223
Base-Backbone interact. energy: -0.027
local terms energy: -47.549678
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: 0.907
tors. eta vs tors. theta energy: -7.985
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: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -142.948762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.948762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.948762 (E_RNA)
where:
Base-Base interactions energy: -89.929
where: short stacking energy: -46.085
Base-Backbone interact. energy: 2.108
local terms energy: -55.127216
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -267.231872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.231872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.231872 (E_RNA)
where:
Base-Base interactions energy: -188.245
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.011
local terms energy: -78.975526
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -268.137865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.137865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.137865 (E_RNA)
where:
Base-Base interactions energy: -183.484
where: short stacking energy: -78.079
Base-Backbone interact. energy: -1.730
local terms energy: -82.923135
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -21.641
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: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -253.938481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.938481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.938481 (E_RNA)
where:
Base-Base interactions energy: -183.767
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.086
local terms energy: -70.085426
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -17.137
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: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -261.680649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.680649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.680649 (E_RNA)
where:
Base-Base interactions energy: -184.165
where: short stacking energy: -74.625
Base-Backbone interact. energy: -1.770
local terms energy: -75.744958
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -22.466
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: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -224.199661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.199661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.199661 (E_RNA)
where:
Base-Base interactions energy: -162.861
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.375
local terms energy: -60.962783
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -162.429188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.429188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.429188 (E_RNA)
where:
Base-Base interactions energy: -103.397
where: short stacking energy: -46.593
Base-Backbone interact. energy: -0.454
local terms energy: -58.577794
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -10.643
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: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -166.477027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477027 (E_RNA)
where:
Base-Base interactions energy: -102.219
where: short stacking energy: -46.667
Base-Backbone interact. energy: -1.443
local terms energy: -62.814933
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -11.055
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -148.815501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.815501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.815501 (E_RNA)
where:
Base-Base interactions energy: -86.983
where: short stacking energy: -42.501
Base-Backbone interact. energy: -0.738
local terms energy: -61.093762
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.195581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.195581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.195581 (E_RNA)
where:
Base-Base interactions energy: -42.375
where: short stacking energy: -17.040
Base-Backbone interact. energy: -0.185
local terms energy: -46.635383
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -0.658
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: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -94.071128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.071128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.071128 (E_RNA)
where:
Base-Base interactions energy: -43.765
where: short stacking energy: -40.940
Base-Backbone interact. energy: 1.620
local terms energy: -51.925755
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.566
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: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -272.797609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.797609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.797609 (E_RNA)
where:
Base-Base interactions energy: -193.019
where: short stacking energy: -69.397
Base-Backbone interact. energy: -0.004
local terms energy: -79.774927
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -21.262
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: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -260.230354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.230354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.230354 (E_RNA)
where:
Base-Base interactions energy: -181.573
where: short stacking energy: -75.097
Base-Backbone interact. energy: -1.258
local terms energy: -77.399812
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -264.432529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.432529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.432529 (E_RNA)
where:
Base-Base interactions energy: -196.453
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.410
local terms energy: -67.569806
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -17.540
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -260.145838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.145838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.145838 (E_RNA)
where:
Base-Base interactions energy: -178.914
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.800
local terms energy: -80.431989
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -22.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -219.560440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.560440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.560440 (E_RNA)
where:
Base-Base interactions energy: -148.404
where: short stacking energy: -61.526
Base-Backbone interact. energy: -0.918
local terms energy: -70.238463
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -183.771325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.771325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.771325 (E_RNA)
where:
Base-Base interactions energy: -116.151
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.510
local terms energy: -67.109836
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -7.794
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: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -160.539172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.539172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.539172 (E_RNA)
where:
Base-Base interactions energy: -101.647
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.507
local terms energy: -58.385604
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -10.611
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)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -148.862271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.862271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.862271 (E_RNA)
where:
Base-Base interactions energy: -88.108
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.214
local terms energy: -60.540216
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -94.296978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.296978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.296978 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -28.912
Base-Backbone interact. energy: -0.315
local terms energy: -55.290603
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -96.332724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.332724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.332724 (E_RNA)
where:
Base-Base interactions energy: -50.232
where: short stacking energy: -35.252
Base-Backbone interact. energy: -0.114
local terms energy: -45.986345
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -275.044372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.044372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.044372 (E_RNA)
where:
Base-Base interactions energy: -202.863
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.003
local terms energy: -72.178252
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -261.540331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.540331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.540331 (E_RNA)
where:
Base-Base interactions energy: -188.801
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.779
local terms energy: -71.960094
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -253.325334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.325334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.325334 (E_RNA)
where:
Base-Base interactions energy: -175.993
where: short stacking energy: -74.824
Base-Backbone interact. energy: -1.635
local terms energy: -75.698242
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -254.485629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.485629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.485629 (E_RNA)
where:
Base-Base interactions energy: -174.710
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.565
local terms energy: -79.210556
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -213.818575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.818575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.818575 (E_RNA)
where:
Base-Base interactions energy: -142.427
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.500
local terms energy: -70.891336
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -169.049580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.049580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.049580 (E_RNA)
where:
Base-Base interactions energy: -110.841
where: short stacking energy: -54.855
Base-Backbone interact. energy: 0.328
local terms energy: -58.536613
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -170.612080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.612080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.612080 (E_RNA)
where:
Base-Base interactions energy: -109.856
where: short stacking energy: -53.222
Base-Backbone interact. energy: -0.025
local terms energy: -60.730560
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -99.534467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.534467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.534467 (E_RNA)
where:
Base-Base interactions energy: -53.743
where: short stacking energy: -40.446
Base-Backbone interact. energy: 0.044
local terms energy: -45.835158
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -151.957264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.957264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.957264 (E_RNA)
where:
Base-Base interactions energy: -82.494
where: short stacking energy: -42.486
Base-Backbone interact. energy: -0.152
local terms energy: -69.312046
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -11.403
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: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -85.072782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.072782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.072782 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -30.226
Base-Backbone interact. energy: 0.072
local terms energy: -53.026804
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -269.948327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.948327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.948327 (E_RNA)
where:
Base-Base interactions energy: -192.704
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.137
local terms energy: -77.107701
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -16.709
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: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -264.067912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.067912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.067912 (E_RNA)
where:
Base-Base interactions energy: -190.661
where: short stacking energy: -79.958
Base-Backbone interact. energy: -0.010
local terms energy: -73.396739
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -21.174
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -261.867931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.867931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.867931 (E_RNA)
where:
Base-Base interactions energy: -182.617
where: short stacking energy: -79.766
Base-Backbone interact. energy: -1.997
local terms energy: -77.253816
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -255.427240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.427240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.427240 (E_RNA)
where:
Base-Base interactions energy: -175.138
where: short stacking energy: -68.765
Base-Backbone interact. energy: -1.755
local terms energy: -78.533950
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -232.352136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.352136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.352136 (E_RNA)
where:
Base-Base interactions energy: -165.710
where: short stacking energy: -64.673
Base-Backbone interact. energy: -0.026
local terms energy: -66.616666
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -171.294089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.294089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.294089 (E_RNA)
where:
Base-Base interactions energy: -103.781
where: short stacking energy: -49.557
Base-Backbone interact. energy: -0.015
local terms energy: -67.498032
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -183.027247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.027247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.027247 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -44.061
Base-Backbone interact. energy: 0.055
local terms energy: -64.382677
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -10.396
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: 432
Temperature: 1.250000
Total energy: -86.874010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.874010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.874010 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -30.675
Base-Backbone interact. energy: -0.245
local terms energy: -53.342221
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -151.506660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.506660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.506660 (E_RNA)
where:
Base-Base interactions energy: -103.607
where: short stacking energy: -41.261
Base-Backbone interact. energy: 0.637
local terms energy: -48.535877
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -8.378
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -77.265320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.265320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.265320 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.909
local terms energy: -43.451210
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -1.304
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: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -273.170065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.170065 (E_RNA)
where:
Base-Base interactions energy: -200.948
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.091
local terms energy: -72.131318
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -265.562650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.562650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.562650 (E_RNA)
where:
Base-Base interactions energy: -186.786
where: short stacking energy: -74.311
Base-Backbone interact. energy: -0.589
local terms energy: -78.187230
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -262.721770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.721770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.721770 (E_RNA)
where:
Base-Base interactions energy: -184.884
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.040
local terms energy: -77.798140
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -232.308882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.308882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.308882 (E_RNA)
where:
Base-Base interactions energy: -159.931
where: short stacking energy: -62.722
Base-Backbone interact. energy: -1.127
local terms energy: -71.251127
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -236.671896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.671896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.671896 (E_RNA)
where:
Base-Base interactions energy: -173.711
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.284
local terms energy: -62.676818
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -213.354377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.354377 (E_RNA)
where:
Base-Base interactions energy: -149.288
where: short stacking energy: -62.639
Base-Backbone interact. energy: 1.144
local terms energy: -65.210544
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -174.595356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.595356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.595356 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.629
local terms energy: -71.214033
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -147.515941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.515941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.515941 (E_RNA)
where:
Base-Base interactions energy: -85.544
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.587
local terms energy: -61.384792
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -99.353147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.353147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.353147 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -36.064
Base-Backbone interact. energy: -0.057
local terms energy: -53.610489
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -8.162
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: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -93.685409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.685409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.685409 (E_RNA)
where:
Base-Base interactions energy: -49.312
where: short stacking energy: -20.432
Base-Backbone interact. energy: 1.971
local terms energy: -46.344316
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.086
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: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -267.906588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.906588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.906588 (E_RNA)
where:
Base-Base interactions energy: -183.573
where: short stacking energy: -76.638
Base-Backbone interact. energy: -1.865
local terms energy: -82.468393
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -261.025185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.025185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.025185 (E_RNA)
where:
Base-Base interactions energy: -188.192
where: short stacking energy: -74.815
Base-Backbone interact. energy: -0.300
local terms energy: -72.533210
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -245.683493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.683493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.683493 (E_RNA)
where:
Base-Base interactions energy: -172.508
where: short stacking energy: -73.882
Base-Backbone interact. energy: -0.136
local terms energy: -73.039606
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -256.383398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.383398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.383398 (E_RNA)
where:
Base-Base interactions energy: -183.059
where: short stacking energy: -75.402
Base-Backbone interact. energy: 1.620
local terms energy: -74.944815
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -244.141255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.141255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.141255 (E_RNA)
where:
Base-Base interactions energy: -169.977
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.437
local terms energy: -73.726743
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -218.816163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.816163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.816163 (E_RNA)
where:
Base-Base interactions energy: -160.301
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.485
local terms energy: -58.030274
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -170.555554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.555554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.555554 (E_RNA)
where:
Base-Base interactions energy: -93.016
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.495
local terms energy: -77.044271
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -159.137350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.137350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.137350 (E_RNA)
where:
Base-Base interactions energy: -94.280
where: short stacking energy: -47.335
Base-Backbone interact. energy: 0.147
local terms energy: -65.004173
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -99.029468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.029468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.029468 (E_RNA)
where:
Base-Base interactions energy: -48.043
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.008
local terms energy: -50.978681
where:
bonds (distance) C4'-P energy: -5.663
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -9.465
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: 434
Temperature: 1.350000
Total energy: -86.993931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.993931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.993931 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.414
local terms energy: -52.902118
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -270.650409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.650409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.650409 (E_RNA)
where:
Base-Base interactions energy: -191.894
where: short stacking energy: -75.812
Base-Backbone interact. energy: 0.110
local terms energy: -78.867187
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -20.626
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -263.121568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.121568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.121568 (E_RNA)
where:
Base-Base interactions energy: -185.803
where: short stacking energy: -78.175
Base-Backbone interact. energy: -0.306
local terms energy: -77.012354
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -18.653
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -230.518122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.518122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.518122 (E_RNA)
where:
Base-Base interactions energy: -150.552
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.279
local terms energy: -79.687287
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -256.434976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.434976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.434976 (E_RNA)
where:
Base-Base interactions energy: -180.680
where: short stacking energy: -78.902
Base-Backbone interact. energy: -1.319
local terms energy: -74.436060
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -252.698962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.698962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.698962 (E_RNA)
where:
Base-Base interactions energy: -176.977
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.001
local terms energy: -75.720557
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -226.573552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.573552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.573552 (E_RNA)
where:
Base-Base interactions energy: -155.498
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.352
local terms energy: -70.723777
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -159.259995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.259995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.259995 (E_RNA)
where:
Base-Base interactions energy: -98.213
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.060
local terms energy: -60.986513
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -155.902710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.902710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.902710 (E_RNA)
where:
Base-Base interactions energy: -98.515
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.544
local terms energy: -56.844118
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.682
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)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -88.512876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.512876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.512876 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -32.791
Base-Backbone interact. energy: -0.057
local terms energy: -55.664377
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -6.528
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: 435
Temperature: 1.350000
Total energy: -84.116231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116231 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -22.733
Base-Backbone interact. energy: -0.044
local terms energy: -43.159241
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -276.180309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.180309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.180309 (E_RNA)
where:
Base-Base interactions energy: -198.299
where: short stacking energy: -79.694
Base-Backbone interact. energy: -0.002
local terms energy: -77.879311
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -258.856458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.856458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.856458 (E_RNA)
where:
Base-Base interactions energy: -179.853
where: short stacking energy: -77.491
Base-Backbone interact. energy: 4.435
local terms energy: -83.438994
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -257.966382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.966382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.966382 (E_RNA)
where:
Base-Base interactions energy: -177.361
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.263
local terms energy: -80.342427
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -225.078575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.078575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.078575 (E_RNA)
where:
Base-Base interactions energy: -158.080
where: short stacking energy: -68.472
Base-Backbone interact. energy: 0.355
local terms energy: -67.353926
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -247.872912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.872912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.872912 (E_RNA)
where:
Base-Base interactions energy: -171.524
where: short stacking energy: -75.111
Base-Backbone interact. energy: -1.968
local terms energy: -74.380743
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -23.482
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: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -227.992604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.992604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.992604 (E_RNA)
where:
Base-Base interactions energy: -159.410
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.155
local terms energy: -68.427288
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -161.286886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.286886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.286886 (E_RNA)
where:
Base-Base interactions energy: -107.372
where: short stacking energy: -56.160
Base-Backbone interact. energy: 1.608
local terms energy: -55.523499
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -9.820
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: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -170.132976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.132976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.132976 (E_RNA)
where:
Base-Base interactions energy: -101.675
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.169
local terms energy: -68.289015
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -11.331
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: 436
Temperature: 1.300000
Total energy: -89.531824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.531824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.531824 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.181
local terms energy: -53.806725
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -76.841372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.841372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.841372 (E_RNA)
where:
Base-Base interactions energy: -25.119
where: short stacking energy: -17.252
Base-Backbone interact. energy: -0.168
local terms energy: -51.553827
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -270.888717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.888717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.888717 (E_RNA)
where:
Base-Base interactions energy: -190.293
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.612
local terms energy: -79.983549
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -268.209917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.209917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.209917 (E_RNA)
where:
Base-Base interactions energy: -183.813
where: short stacking energy: -82.116
Base-Backbone interact. energy: -1.844
local terms energy: -82.553712
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -258.120774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.120774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.120774 (E_RNA)
where:
Base-Base interactions energy: -183.307
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.088
local terms energy: -74.726073
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -252.814339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.814339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.814339 (E_RNA)
where:
Base-Base interactions energy: -173.126
where: short stacking energy: -71.158
Base-Backbone interact. energy: -0.105
local terms energy: -79.583199
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -221.509788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.509788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.509788 (E_RNA)
where:
Base-Base interactions energy: -151.715
where: short stacking energy: -64.727
Base-Backbone interact. energy: 0.743
local terms energy: -70.538161
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.273
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: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -163.169883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.169883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.169883 (E_RNA)
where:
Base-Base interactions energy: -101.673
where: short stacking energy: -49.268
Base-Backbone interact. energy: -0.268
local terms energy: -61.228970
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -212.226807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.226807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.226807 (E_RNA)
where:
Base-Base interactions energy: -142.487
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.062
local terms energy: -69.677929
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -153.298159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.298159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.298159 (E_RNA)
where:
Base-Base interactions energy: -100.090
where: short stacking energy: -46.439
Base-Backbone interact. energy: -0.030
local terms energy: -53.178109
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -5.070
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: 437
Temperature: 1.300000
Total energy: -84.919596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.919596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.919596 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -34.525
Base-Backbone interact. energy: -0.273
local terms energy: -50.121318
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -97.706609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.706609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.706609 (E_RNA)
where:
Base-Base interactions energy: -39.482
where: short stacking energy: -36.701
Base-Backbone interact. energy: -0.126
local terms energy: -58.098057
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -269.789363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.789363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.789363 (E_RNA)
where:
Base-Base interactions energy: -188.165
where: short stacking energy: -82.061
Base-Backbone interact. energy: -1.565
local terms energy: -80.059187
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -266.683133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.683133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.683133 (E_RNA)
where:
Base-Base interactions energy: -196.973
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.415
local terms energy: -69.295620
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -19.782
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: 438
Temperature: 1.000000
Total energy: -263.148663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.148663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.148663 (E_RNA)
where:
Base-Base interactions energy: -185.613
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.349
local terms energy: -77.186735
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -254.729747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.729747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.729747 (E_RNA)
where:
Base-Base interactions energy: -179.599
where: short stacking energy: -72.919
Base-Backbone interact. energy: -0.305
local terms energy: -74.826210
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -20.734
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: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -229.239928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.239928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.239928 (E_RNA)
where:
Base-Base interactions energy: -162.913
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.688
local terms energy: -65.639257
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -17.796
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: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -174.018604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.018604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.018604 (E_RNA)
where:
Base-Base interactions energy: -112.586
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.016
local terms energy: -61.416625
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -215.901680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.901680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.901680 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -61.053
Base-Backbone interact. energy: 2.584
local terms energy: -65.041610
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -155.733633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.733633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.733633 (E_RNA)
where:
Base-Base interactions energy: -93.802
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.092
local terms energy: -61.839485
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -7.146
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -82.851457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.851457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.851457 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.366
local terms energy: -47.852482
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: 3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -88.945310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.945310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.945310 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -32.829
Base-Backbone interact. energy: -0.091
local terms energy: -56.025453
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -6.804
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: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -266.647567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.647567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.647567 (E_RNA)
where:
Base-Base interactions energy: -187.646
where: short stacking energy: -73.824
Base-Backbone interact. energy: -2.239
local terms energy: -76.762674
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -19.465
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: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -258.390574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.390574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.390574 (E_RNA)
where:
Base-Base interactions energy: -177.983
where: short stacking energy: -73.295
Base-Backbone interact. energy: -0.833
local terms energy: -79.573904
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -21.496
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: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -261.269761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.269761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.269761 (E_RNA)
where:
Base-Base interactions energy: -190.347
where: short stacking energy: -71.348
Base-Backbone interact. energy: -0.109
local terms energy: -70.814268
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -260.626867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.626867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.626867 (E_RNA)
where:
Base-Base interactions energy: -178.641
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.305
local terms energy: -81.680543
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -22.358
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: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -220.847034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.847034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.847034 (E_RNA)
where:
Base-Base interactions energy: -154.662
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.092
local terms energy: -66.092445
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -208.256393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.256393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256393 (E_RNA)
where:
Base-Base interactions energy: -145.514
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.288
local terms energy: -62.454539
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -157.004223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.004223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.004223 (E_RNA)
where:
Base-Base interactions energy: -101.819
where: short stacking energy: -49.449
Base-Backbone interact. energy: 0.191
local terms energy: -55.376230
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -92.576936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.576936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.576936 (E_RNA)
where:
Base-Base interactions energy: -41.689
where: short stacking energy: -33.439
Base-Backbone interact. energy: 0.686
local terms energy: -51.574385
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -158.044498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044498 (E_RNA)
where:
Base-Base interactions energy: -100.315
where: short stacking energy: -42.659
Base-Backbone interact. energy: -0.397
local terms energy: -57.332841
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -6.811
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -77.889429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.889429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.889429 (E_RNA)
where:
Base-Base interactions energy: -29.683
where: short stacking energy: -18.622
Base-Backbone interact. energy: -0.258
local terms energy: -47.948912
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: 2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -270.824643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.824643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.824643 (E_RNA)
where:
Base-Base interactions energy: -189.208
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.114
local terms energy: -81.502069
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -23.647
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: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -262.285509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.285509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.285509 (E_RNA)
where:
Base-Base interactions energy: -184.128
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.101
local terms energy: -78.056357
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -261.144494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.144494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.144494 (E_RNA)
where:
Base-Base interactions energy: -181.589
where: short stacking energy: -78.554
Base-Backbone interact. energy: -0.038
local terms energy: -79.517878
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -254.479897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.479897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.479897 (E_RNA)
where:
Base-Base interactions energy: -174.655
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.004
local terms energy: -79.821224
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -22.781
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: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -227.688146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.688146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688146 (E_RNA)
where:
Base-Base interactions energy: -159.497
where: short stacking energy: -71.646
Base-Backbone interact. energy: -1.805
local terms energy: -66.386203
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -20.631
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: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -229.385651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.385651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.385651 (E_RNA)
where:
Base-Base interactions energy: -162.197
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.118
local terms energy: -67.070192
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -15.503
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: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -156.260614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.260614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.260614 (E_RNA)
where:
Base-Base interactions energy: -85.174
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.755
local terms energy: -70.331512
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -10.620
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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -98.839796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839796 (E_RNA)
where:
Base-Base interactions energy: -42.346
where: short stacking energy: -41.790
Base-Backbone interact. energy: -0.023
local terms energy: -56.471289
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -8.783
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: 440
Temperature: 1.300000
Total energy: -142.243712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.243712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.243712 (E_RNA)
where:
Base-Base interactions energy: -87.010
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.055
local terms energy: -55.179124
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -11.057
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: 440
Temperature: 1.350000
Total energy: -79.991059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991059 (E_RNA)
where:
Base-Base interactions energy: -24.270
where: short stacking energy: -25.170
Base-Backbone interact. energy: 0.748
local terms energy: -56.469644
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -272.932309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.932309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.932309 (E_RNA)
where:
Base-Base interactions energy: -184.980
where: short stacking energy: -79.356
Base-Backbone interact. energy: -0.341
local terms energy: -87.610784
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -267.184934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.184934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.184934 (E_RNA)
where:
Base-Base interactions energy: -181.528
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.958
local terms energy: -84.699394
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -257.188020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.188020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.188020 (E_RNA)
where:
Base-Base interactions energy: -178.666
where: short stacking energy: -70.667
Base-Backbone interact. energy: -0.006
local terms energy: -78.516381
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -250.574017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.574017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.574017 (E_RNA)
where:
Base-Base interactions energy: -171.381
where: short stacking energy: -64.729
Base-Backbone interact. energy: -1.015
local terms energy: -78.178110
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -22.135
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: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -232.330697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.330697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.330697 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.391
local terms energy: -60.897712
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -210.205523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.205523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.205523 (E_RNA)
where:
Base-Base interactions energy: -144.344
where: short stacking energy: -58.770
Base-Backbone interact. energy: -1.001
local terms energy: -64.861148
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -169.059760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.059760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.059760 (E_RNA)
where:
Base-Base interactions energy: -107.154
where: short stacking energy: -52.912
Base-Backbone interact. energy: -0.013
local terms energy: -61.892673
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -167.966482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.966482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.966482 (E_RNA)
where:
Base-Base interactions energy: -113.318
where: short stacking energy: -69.359
Base-Backbone interact. energy: -0.367
local terms energy: -54.280767
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -107.083786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.083786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.083786 (E_RNA)
where:
Base-Base interactions energy: -55.947
where: short stacking energy: -35.182
Base-Backbone interact. energy: -0.415
local terms energy: -50.722142
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -3.876
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: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -82.431083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.431083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.431083 (E_RNA)
where:
Base-Base interactions energy: -30.670
where: short stacking energy: -30.641
Base-Backbone interact. energy: -0.189
local terms energy: -51.571539
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -270.486618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.486618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.486618 (E_RNA)
where:
Base-Base interactions energy: -186.994
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.001
local terms energy: -83.491703
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -270.014919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.014919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.014919 (E_RNA)
where:
Base-Base interactions energy: -184.482
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.937
local terms energy: -84.596113
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -23.926
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: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -256.330222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.330222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.330222 (E_RNA)
where:
Base-Base interactions energy: -178.849
where: short stacking energy: -72.304
Base-Backbone interact. energy: 0.152
local terms energy: -77.633610
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -247.199313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.199313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.199313 (E_RNA)
where:
Base-Base interactions energy: -169.411
where: short stacking energy: -69.482
Base-Backbone interact. energy: -1.478
local terms energy: -76.310507
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -215.321929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.321929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321929 (E_RNA)
where:
Base-Base interactions energy: -145.389
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.967
local terms energy: -68.965679
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -13.074
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: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -213.910422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.910422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.910422 (E_RNA)
where:
Base-Base interactions energy: -144.745
where: short stacking energy: -60.107
Base-Backbone interact. energy: 0.532
local terms energy: -69.697531
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -14.324
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: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -171.894366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.894366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.894366 (E_RNA)
where:
Base-Base interactions energy: -103.844
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.078
local terms energy: -67.972122
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -13.656
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: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -158.905112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.905112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.905112 (E_RNA)
where:
Base-Base interactions energy: -93.622
where: short stacking energy: -42.022
Base-Backbone interact. energy: -0.805
local terms energy: -64.478123
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -11.205
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: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -93.935247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.935247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.935247 (E_RNA)
where:
Base-Base interactions energy: -43.334
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.011
local terms energy: -50.589761
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -146.123110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.123110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.123110 (E_RNA)
where:
Base-Base interactions energy: -97.562
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.596
local terms energy: -47.964926
where:
bonds (distance) C4'-P energy: -4.919
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -8.202
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: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -259.054906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.054906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.054906 (E_RNA)
where:
Base-Base interactions energy: -185.089
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.301
local terms energy: -73.664321
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -264.298343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.298343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.298343 (E_RNA)
where:
Base-Base interactions energy: -186.365
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.148
local terms energy: -77.784789
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -261.058631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.058631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.058631 (E_RNA)
where:
Base-Base interactions energy: -176.295
where: short stacking energy: -73.854
Base-Backbone interact. energy: -1.774
local terms energy: -82.989509
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -250.836850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.836850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.836850 (E_RNA)
where:
Base-Base interactions energy: -177.415
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.061
local terms energy: -73.360524
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.235
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: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -222.797077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.797077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.797077 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.248
local terms energy: -70.266064
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -17.841
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: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -207.621982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.621982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.621982 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.179
local terms energy: -61.604219
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -13.114
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: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -162.441214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.441214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.441214 (E_RNA)
where:
Base-Base interactions energy: -98.051
where: short stacking energy: -56.792
Base-Backbone interact. energy: -0.098
local terms energy: -64.292879
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -164.550678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.550678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.550678 (E_RNA)
where:
Base-Base interactions energy: -103.436
where: short stacking energy: -60.535
Base-Backbone interact. energy: -1.545
local terms energy: -59.570396
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -100.278353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278353 (E_RNA)
where:
Base-Base interactions energy: -52.424
where: short stacking energy: -27.080
Base-Backbone interact. energy: -0.077
local terms energy: -47.777030
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -140.877539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.877539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.877539 (E_RNA)
where:
Base-Base interactions energy: -82.482
where: short stacking energy: -39.488
Base-Backbone interact. energy: -0.217
local terms energy: -58.178213
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.299
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: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -266.825719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.825719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.825719 (E_RNA)
where:
Base-Base interactions energy: -185.392
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.400
local terms energy: -81.033350
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -20.921
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -251.027063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.027063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.027063 (E_RNA)
where:
Base-Base interactions energy: -177.772
where: short stacking energy: -70.296
Base-Backbone interact. energy: -1.540
local terms energy: -71.714944
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -17.988
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: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -255.379677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.379677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.379677 (E_RNA)
where:
Base-Base interactions energy: -176.362
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.005
local terms energy: -79.012142
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -253.912570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.912570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.912570 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -73.721
Base-Backbone interact. energy: 0.203
local terms energy: -82.293854
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -226.788660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.788660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.788660 (E_RNA)
where:
Base-Base interactions energy: -158.754
where: short stacking energy: -64.995
Base-Backbone interact. energy: 2.064
local terms energy: -70.098663
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -206.976446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.976446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.976446 (E_RNA)
where:
Base-Base interactions energy: -142.561
where: short stacking energy: -53.855
Base-Backbone interact. energy: -0.025
local terms energy: -64.390562
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -158.623933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.623933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.623933 (E_RNA)
where:
Base-Base interactions energy: -97.174
where: short stacking energy: -45.123
Base-Backbone interact. energy: 0.855
local terms energy: -62.304905
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -163.260370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.260370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.260370 (E_RNA)
where:
Base-Base interactions energy: -93.090
where: short stacking energy: -48.110
Base-Backbone interact. energy: 0.134
local terms energy: -70.304619
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -155.176755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.176755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.176755 (E_RNA)
where:
Base-Base interactions energy: -84.420
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.072
local terms energy: -70.685078
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -92.335328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.335328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.335328 (E_RNA)
where:
Base-Base interactions energy: -48.034
where: short stacking energy: -26.842
Base-Backbone interact. energy: -0.247
local terms energy: -44.054469
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: 4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -262.739234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.739234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.739234 (E_RNA)
where:
Base-Base interactions energy: -181.752
where: short stacking energy: -69.173
Base-Backbone interact. energy: -1.065
local terms energy: -79.921400
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -22.091
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: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -268.489696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.489696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.489696 (E_RNA)
where:
Base-Base interactions energy: -179.537
where: short stacking energy: -75.398
Base-Backbone interact. energy: -1.125
local terms energy: -87.828337
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -257.072497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.072497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.072497 (E_RNA)
where:
Base-Base interactions energy: -180.363
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.218
local terms energy: -76.492168
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.481
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -262.696755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.696755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.696755 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -72.325
Base-Backbone interact. energy: -0.152
local terms energy: -78.994167
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -20.053
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: 445
Temperature: 1.100000
Total energy: -220.563058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.563058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.563058 (E_RNA)
where:
Base-Base interactions energy: -154.701
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.289
local terms energy: -65.573252
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -219.936255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.936255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.936255 (E_RNA)
where:
Base-Base interactions energy: -149.361
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.160
local terms energy: -70.415693
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -14.606
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: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -167.986093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.986093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.986093 (E_RNA)
where:
Base-Base interactions energy: -102.598
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.182
local terms energy: -65.205331
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -11.428
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: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -166.741921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.741921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.741921 (E_RNA)
where:
Base-Base interactions energy: -106.582
where: short stacking energy: -58.801
Base-Backbone interact. energy: -1.221
local terms energy: -58.938216
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -161.063162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.063162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.063162 (E_RNA)
where:
Base-Base interactions energy: -99.331
where: short stacking energy: -47.616
Base-Backbone interact. energy: -0.205
local terms energy: -61.527365
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -86.535402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.535402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.535402 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.046
local terms energy: -49.920408
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -0.523
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: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -263.510627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.510627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.510627 (E_RNA)
where:
Base-Base interactions energy: -184.377
where: short stacking energy: -76.049
Base-Backbone interact. energy: -0.472
local terms energy: -78.661819
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -266.283749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.283749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.283749 (E_RNA)
where:
Base-Base interactions energy: -182.252
where: short stacking energy: -74.606
Base-Backbone interact. energy: -0.334
local terms energy: -83.697654
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -265.805377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.805377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.805377 (E_RNA)
where:
Base-Base interactions energy: -197.865
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.011
local terms energy: -67.929658
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -17.215
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: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -261.351026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.351026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.351026 (E_RNA)
where:
Base-Base interactions energy: -182.526
where: short stacking energy: -75.434
Base-Backbone interact. energy: -0.344
local terms energy: -78.480732
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -220.129961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.129961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.129961 (E_RNA)
where:
Base-Base interactions energy: -157.853
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.191
local terms energy: -62.085601
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -11.149
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: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -209.553939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.553939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.553939 (E_RNA)
where:
Base-Base interactions energy: -140.109
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.286
local terms energy: -69.159036
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -169.011154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.011154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.011154 (E_RNA)
where:
Base-Base interactions energy: -102.093
where: short stacking energy: -55.709
Base-Backbone interact. energy: -0.118
local terms energy: -66.801022
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -14.435
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: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -152.068110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.068110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.068110 (E_RNA)
where:
Base-Base interactions energy: -84.259
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.077
local terms energy: -67.732343
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -94.412059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.412059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.412059 (E_RNA)
where:
Base-Base interactions energy: -37.404
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.009
local terms energy: -56.998800
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -155.848153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.848153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.848153 (E_RNA)
where:
Base-Base interactions energy: -95.154
where: short stacking energy: -45.241
Base-Backbone interact. energy: -1.161
local terms energy: -59.533106
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -263.798958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.798958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.798958 (E_RNA)
where:
Base-Base interactions energy: -184.395
where: short stacking energy: -75.682
Base-Backbone interact. energy: -0.049
local terms energy: -79.355532
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -23.554
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: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -258.406714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.406714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.406714 (E_RNA)
where:
Base-Base interactions energy: -177.262
where: short stacking energy: -72.008
Base-Backbone interact. energy: -0.788
local terms energy: -80.356906
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -19.381
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: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -263.244746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.244746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.244746 (E_RNA)
where:
Base-Base interactions energy: -180.607
where: short stacking energy: -74.099
Base-Backbone interact. energy: -1.254
local terms energy: -81.383538
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -229.600896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.600896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.600896 (E_RNA)
where:
Base-Base interactions energy: -163.486
where: short stacking energy: -67.673
Base-Backbone interact. energy: 0.001
local terms energy: -66.115880
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -251.082489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.082489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.082489 (E_RNA)
where:
Base-Base interactions energy: -173.065
where: short stacking energy: -74.396
Base-Backbone interact. energy: -1.051
local terms energy: -76.965869
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -20.841
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: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -210.963358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.963358 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -58.338
Base-Backbone interact. energy: 2.108
local terms energy: -71.369846
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -160.311471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.311471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.311471 (E_RNA)
where:
Base-Base interactions energy: -95.840
where: short stacking energy: -49.974
Base-Backbone interact. energy: 1.034
local terms energy: -65.505762
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -11.011
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: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -143.212432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.212432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.212432 (E_RNA)
where:
Base-Base interactions energy: -93.014
where: short stacking energy: -45.876
Base-Backbone interact. energy: -0.342
local terms energy: -49.856552
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -100.723716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.723716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.723716 (E_RNA)
where:
Base-Base interactions energy: -41.428
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.044
local terms energy: -59.251334
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -8.453
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -148.211897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.211897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.211897 (E_RNA)
where:
Base-Base interactions energy: -92.855
where: short stacking energy: -48.644
Base-Backbone interact. energy: 0.164
local terms energy: -55.521712
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -6.917
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -264.116632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.116632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.116632 (E_RNA)
where:
Base-Base interactions energy: -184.094
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.002
local terms energy: -80.019864
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -260.010037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.010037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.010037 (E_RNA)
where:
Base-Base interactions energy: -182.452
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.518
local terms energy: -77.039583
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -256.086625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.086625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.086625 (E_RNA)
where:
Base-Base interactions energy: -181.601
where: short stacking energy: -72.595
Base-Backbone interact. energy: -0.807
local terms energy: -73.679386
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -20.275
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: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -241.384634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.384634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.384634 (E_RNA)
where:
Base-Base interactions energy: -169.433
where: short stacking energy: -71.277
Base-Backbone interact. energy: -0.086
local terms energy: -71.865852
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -247.356881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.356881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.356881 (E_RNA)
where:
Base-Base interactions energy: -174.443
where: short stacking energy: -70.377
Base-Backbone interact. energy: -0.054
local terms energy: -72.860763
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -18.634
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: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -198.143707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.143707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.143707 (E_RNA)
where:
Base-Base interactions energy: -125.994
where: short stacking energy: -52.362
Base-Backbone interact. energy: -1.834
local terms energy: -70.316323
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -148.075683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.075683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.075683 (E_RNA)
where:
Base-Base interactions energy: -91.978
where: short stacking energy: -43.715
Base-Backbone interact. energy: 1.181
local terms energy: -57.278363
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -147.370345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.370345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.370345 (E_RNA)
where:
Base-Base interactions energy: -86.142
where: short stacking energy: -41.095
Base-Backbone interact. energy: -0.244
local terms energy: -60.984500
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -7.750
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: 448
Temperature: 1.300000
Total energy: -144.777358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.777358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.777358 (E_RNA)
where:
Base-Base interactions energy: -86.334
where: short stacking energy: -36.690
Base-Backbone interact. energy: -0.322
local terms energy: -58.121368
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -87.416048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.416048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.416048 (E_RNA)
where:
Base-Base interactions energy: -35.963
where: short stacking energy: -35.963
Base-Backbone interact. energy: -0.050
local terms energy: -51.403378
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -263.814991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.814991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.814991 (E_RNA)
where:
Base-Base interactions energy: -186.400
where: short stacking energy: -74.997
Base-Backbone interact. energy: -1.000
local terms energy: -76.415722
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -262.438019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.438019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.438019 (E_RNA)
where:
Base-Base interactions energy: -183.596
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.576
local terms energy: -78.265924
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -259.783538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.783538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.783538 (E_RNA)
where:
Base-Base interactions energy: -183.715
where: short stacking energy: -70.153
Base-Backbone interact. energy: -2.199
local terms energy: -73.869379
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -21.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -248.611662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.611662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.611662 (E_RNA)
where:
Base-Base interactions energy: -174.056
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.419
local terms energy: -74.136518
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -217.380667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380667 (E_RNA)
where:
Base-Base interactions energy: -154.587
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.901
local terms energy: -61.892201
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -13.540
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: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -200.086881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.086881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.086881 (E_RNA)
where:
Base-Base interactions energy: -139.373
where: short stacking energy: -51.426
Base-Backbone interact. energy: 1.117
local terms energy: -61.830978
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -150.727424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.727424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.727424 (E_RNA)
where:
Base-Base interactions energy: -95.808
where: short stacking energy: -42.670
Base-Backbone interact. energy: -0.003
local terms energy: -54.916179
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -153.318719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.318719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.318719 (E_RNA)
where:
Base-Base interactions energy: -93.577
where: short stacking energy: -45.514
Base-Backbone interact. energy: -0.076
local terms energy: -59.665278
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -94.553567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.553567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.553567 (E_RNA)
where:
Base-Base interactions energy: -37.177
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.146
local terms energy: -57.230762
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -8.570
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: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -85.896095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.896095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.896095 (E_RNA)
where:
Base-Base interactions energy: -39.845
where: short stacking energy: -39.845
Base-Backbone interact. energy: 0.088
local terms energy: -46.139780
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -268.891998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.891998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.891998 (E_RNA)
where:
Base-Base interactions energy: -183.711
where: short stacking energy: -80.134
Base-Backbone interact. energy: -0.026
local terms energy: -85.154788
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -23.530
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -249.727202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.727202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.727202 (E_RNA)
where:
Base-Base interactions energy: -173.090
where: short stacking energy: -67.284
Base-Backbone interact. energy: -0.374
local terms energy: -76.262944
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -249.271216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.271216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.271216 (E_RNA)
where:
Base-Base interactions energy: -180.651
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.702
local terms energy: -67.918964
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -253.813763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.813763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.813763 (E_RNA)
where:
Base-Base interactions energy: -181.564
where: short stacking energy: -78.252
Base-Backbone interact. energy: -0.043
local terms energy: -72.207320
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -219.039466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039466 (E_RNA)
where:
Base-Base interactions energy: -156.615
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.783
local terms energy: -61.642180
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -215.223698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.223698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.223698 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -53.382
Base-Backbone interact. energy: 1.540
local terms energy: -49.208506
where:
bonds (distance) C4'-P energy: -6.181
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -11.514
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -165.281269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.281269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.281269 (E_RNA)
where:
Base-Base interactions energy: -101.667
where: short stacking energy: -48.145
Base-Backbone interact. energy: -0.604
local terms energy: -63.010087
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -154.456601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.456601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.456601 (E_RNA)
where:
Base-Base interactions energy: -88.812
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.670
local terms energy: -64.974279
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -14.517
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: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -94.582503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.582503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.582503 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -33.354
Base-Backbone interact. energy: -0.559
local terms energy: -60.669122
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -6.622
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: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -92.739862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.739862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.739862 (E_RNA)
where:
Base-Base interactions energy: -38.155
where: short stacking energy: -38.155
Base-Backbone interact. energy: -0.172
local terms energy: -54.413287
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -275.891327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.891327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.891327 (E_RNA)
where:
Base-Base interactions energy: -196.956
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.025
local terms energy: -78.909739
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -266.557923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.557923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.557923 (E_RNA)
where:
Base-Base interactions energy: -175.025
where: short stacking energy: -74.471
Base-Backbone interact. energy: -2.482
local terms energy: -89.051393
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -23.651
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: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -242.942675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.942675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.942675 (E_RNA)
where:
Base-Base interactions energy: -168.463
where: short stacking energy: -70.808
Base-Backbone interact. energy: -0.004
local terms energy: -74.475774
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -8.273
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: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -254.533415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.533415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.533415 (E_RNA)
where:
Base-Base interactions energy: -180.536
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.103
local terms energy: -73.894074
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -18.582
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: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -203.333516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.333516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.333516 (E_RNA)
where:
Base-Base interactions energy: -141.589
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.540
local terms energy: -61.205265
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.705
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: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -213.254505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.254505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.254505 (E_RNA)
where:
Base-Base interactions energy: -144.472
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.388
local terms energy: -68.395075
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -16.003
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -152.525034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.525034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.525034 (E_RNA)
where:
Base-Base interactions energy: -97.789
where: short stacking energy: -42.725
Base-Backbone interact. energy: 0.159
local terms energy: -54.895334
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -10.783
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: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -155.198698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.198698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.198698 (E_RNA)
where:
Base-Base interactions energy: -87.396
where: short stacking energy: -38.348
Base-Backbone interact. energy: -0.125
local terms energy: -67.677977
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -91.252733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.252733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.252733 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -23.863
Base-Backbone interact. energy: -0.320
local terms energy: -51.791322
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -81.781622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.781622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.781622 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -22.743
Base-Backbone interact. energy: 0.341
local terms energy: -43.538945
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.324
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: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -265.612050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.612050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.612050 (E_RNA)
where:
Base-Base interactions energy: -186.998
where: short stacking energy: -72.519
Base-Backbone interact. energy: -0.696
local terms energy: -77.917865
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -21.049
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: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -267.393683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.393683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.393683 (E_RNA)
where:
Base-Base interactions energy: -189.006
where: short stacking energy: -81.507
Base-Backbone interact. energy: -0.178
local terms energy: -78.209509
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -255.673315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.673315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.673315 (E_RNA)
where:
Base-Base interactions energy: -179.028
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.139
local terms energy: -76.506537
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -252.785727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.785727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.785727 (E_RNA)
where:
Base-Base interactions energy: -171.763
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.910
local terms energy: -80.113146
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -23.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -211.807375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.807375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.807375 (E_RNA)
where:
Base-Base interactions energy: -140.086
where: short stacking energy: -57.826
Base-Backbone interact. energy: -1.370
local terms energy: -70.350973
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -14.722
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: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -199.530493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.530493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.530493 (E_RNA)
where:
Base-Base interactions energy: -125.346
where: short stacking energy: -47.285
Base-Backbone interact. energy: -1.752
local terms energy: -72.432415
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -152.780844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.780844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.780844 (E_RNA)
where:
Base-Base interactions energy: -87.973
where: short stacking energy: -45.516
Base-Backbone interact. energy: -0.004
local terms energy: -64.804386
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -156.897131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.897131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.897131 (E_RNA)
where:
Base-Base interactions energy: -103.586
where: short stacking energy: -49.574
Base-Backbone interact. energy: -0.174
local terms energy: -53.137380
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -80.387208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.387208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.387208 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -22.761
Base-Backbone interact. energy: 0.056
local terms energy: -52.918594
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -80.307237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.307237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.307237 (E_RNA)
where:
Base-Base interactions energy: -38.881
where: short stacking energy: -32.664
Base-Backbone interact. energy: 3.260
local terms energy: -44.687072
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -264.989509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.989509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.989509 (E_RNA)
where:
Base-Base interactions energy: -183.097
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.025
local terms energy: -81.866887
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -12.812
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: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -271.500662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.500662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.500662 (E_RNA)
where:
Base-Base interactions energy: -190.752
where: short stacking energy: -79.951
Base-Backbone interact. energy: -0.015
local terms energy: -80.734034
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -21.118
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: 453
Temperature: 1.000000
Total energy: -250.793061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.793061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.793061 (E_RNA)
where:
Base-Base interactions energy: -176.618
where: short stacking energy: -66.535
Base-Backbone interact. energy: -0.257
local terms energy: -73.918391
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -258.440646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.440646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.440646 (E_RNA)
where:
Base-Base interactions energy: -182.019
where: short stacking energy: -78.736
Base-Backbone interact. energy: -1.519
local terms energy: -74.902512
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -215.177582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.177582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.177582 (E_RNA)
where:
Base-Base interactions energy: -149.613
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.119
local terms energy: -65.445355
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -208.392506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.392506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.392506 (E_RNA)
where:
Base-Base interactions energy: -138.202
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.884
local terms energy: -69.306730
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -169.712383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.712383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.712383 (E_RNA)
where:
Base-Base interactions energy: -102.513
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.157
local terms energy: -67.042157
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -7.626
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: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -135.378425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.378425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.378425 (E_RNA)
where:
Base-Base interactions energy: -78.755
where: short stacking energy: -50.408
Base-Backbone interact. energy: -0.303
local terms energy: -56.320618
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -144.837114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.837114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.837114 (E_RNA)
where:
Base-Base interactions energy: -87.838
where: short stacking energy: -35.536
Base-Backbone interact. energy: -0.040
local terms energy: -56.959754
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -3.147
tors. eta vs tors. theta energy: -12.737
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: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -82.242560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242560 (E_RNA)
where:
Base-Base interactions energy: -33.577
where: short stacking energy: -33.577
Base-Backbone interact. energy: -0.222
local terms energy: -48.443931
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -266.781700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.781700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.781700 (E_RNA)
where:
Base-Base interactions energy: -182.006
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.961
local terms energy: -83.814796
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -260.158635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.158635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.158635 (E_RNA)
where:
Base-Base interactions energy: -180.357
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.423
local terms energy: -79.379497
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -260.315811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.315811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.315811 (E_RNA)
where:
Base-Base interactions energy: -174.005
where: short stacking energy: -73.152
Base-Backbone interact. energy: 0.248
local terms energy: -86.559301
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -22.926
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: 454
Temperature: 1.050000
Total energy: -256.937912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.937912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.937912 (E_RNA)
where:
Base-Base interactions energy: -181.985
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.635
local terms energy: -74.317631
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -223.370696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.370696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.370696 (E_RNA)
where:
Base-Base interactions energy: -150.136
where: short stacking energy: -63.148
Base-Backbone interact. energy: -0.545
local terms energy: -72.689703
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -216.680053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.680053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.680053 (E_RNA)
where:
Base-Base interactions energy: -150.813
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.180
local terms energy: -65.686936
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -159.579788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.579788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.579788 (E_RNA)
where:
Base-Base interactions energy: -92.688
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.393
local terms energy: -66.498324
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -120.427317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.427317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.427317 (E_RNA)
where:
Base-Base interactions energy: -59.899
where: short stacking energy: -50.060
Base-Backbone interact. energy: -0.640
local terms energy: -59.888678
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -160.844734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.844734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.844734 (E_RNA)
where:
Base-Base interactions energy: -98.908
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.559
local terms energy: -61.378176
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.069
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: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -77.611273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.611273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.611273 (E_RNA)
where:
Base-Base interactions energy: -25.711
where: short stacking energy: -24.327
Base-Backbone interact. energy: -0.324
local terms energy: -51.576073
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: 1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -268.548710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.548710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.548710 (E_RNA)
where:
Base-Base interactions energy: -194.545
where: short stacking energy: -82.890
Base-Backbone interact. energy: -0.252
local terms energy: -73.752238
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -22.092
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: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -265.619328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.619328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.619328 (E_RNA)
where:
Base-Base interactions energy: -179.908
where: short stacking energy: -74.004
Base-Backbone interact. energy: -1.697
local terms energy: -84.014398
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -272.942051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.942051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.942051 (E_RNA)
where:
Base-Base interactions energy: -193.144
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.014
local terms energy: -79.783831
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -23.524
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: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -251.460784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.460784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.460784 (E_RNA)
where:
Base-Base interactions energy: -177.657
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.677
local terms energy: -73.127654
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -17.436
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -209.967425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967425 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.283
local terms energy: -70.389304
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -15.440
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: 455
Temperature: 1.150000
Total energy: -214.095817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.095817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.095817 (E_RNA)
where:
Base-Base interactions energy: -145.307
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.231
local terms energy: -68.557797
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -166.396100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.396100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.396100 (E_RNA)
where:
Base-Base interactions energy: -101.659
where: short stacking energy: -51.417
Base-Backbone interact. energy: -1.173
local terms energy: -63.564303
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -168.191336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.191336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.191336 (E_RNA)
where:
Base-Base interactions energy: -104.414
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.086
local terms energy: -63.691815
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -138.244508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.244508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.244508 (E_RNA)
where:
Base-Base interactions energy: -77.909
where: short stacking energy: -34.352
Base-Backbone interact. energy: -0.230
local terms energy: -60.105043
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -7.512
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: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -85.457048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.457048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.457048 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -26.312
Base-Backbone interact. energy: -1.541
local terms energy: -43.059233
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -271.600391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.600391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.600391 (E_RNA)
where:
Base-Base interactions energy: -192.183
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.750
local terms energy: -78.667409
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -22.137
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: 456
Temperature: 0.950000
Total energy: -267.251937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.251937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.251937 (E_RNA)
where:
Base-Base interactions energy: -182.082
where: short stacking energy: -74.251
Base-Backbone interact. energy: -0.349
local terms energy: -84.821642
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -272.579188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.579188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.579188 (E_RNA)
where:
Base-Base interactions energy: -199.036
where: short stacking energy: -75.100
Base-Backbone interact. energy: -0.002
local terms energy: -73.540520
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -257.951241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.951241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.951241 (E_RNA)
where:
Base-Base interactions energy: -186.480
where: short stacking energy: -74.804
Base-Backbone interact. energy: -1.136
local terms energy: -70.335549
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -212.799370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.799370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.799370 (E_RNA)
where:
Base-Base interactions energy: -139.301
where: short stacking energy: -49.446
Base-Backbone interact. energy: -1.013
local terms energy: -72.485622
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -11.264
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -217.265575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.265575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.265575 (E_RNA)
where:
Base-Base interactions energy: -141.265
where: short stacking energy: -64.220
Base-Backbone interact. energy: -1.021
local terms energy: -74.979510
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -13.253
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: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -164.974389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.974389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.974389 (E_RNA)
where:
Base-Base interactions energy: -99.525
where: short stacking energy: -56.848
Base-Backbone interact. energy: -0.139
local terms energy: -65.310904
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -167.247412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.247412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.247412 (E_RNA)
where:
Base-Base interactions energy: -100.838
where: short stacking energy: -47.615
Base-Backbone interact. energy: -0.007
local terms energy: -66.402818
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -92.596676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.596676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.596676 (E_RNA)
where:
Base-Base interactions energy: -55.194
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.215
local terms energy: -37.187848
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: 1.306
tors. eta vs tors. theta energy: 5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -150.848558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.848558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.848558 (E_RNA)
where:
Base-Base interactions energy: -94.140
where: short stacking energy: -44.829
Base-Backbone interact. energy: -0.008
local terms energy: -56.701088
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -267.572021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.572021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.572021 (E_RNA)
where:
Base-Base interactions energy: -201.377
where: short stacking energy: -72.984
Base-Backbone interact. energy: -0.102
local terms energy: -66.093730
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -263.548900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.548900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.548900 (E_RNA)
where:
Base-Base interactions energy: -179.703
where: short stacking energy: -75.271
Base-Backbone interact. energy: -1.217
local terms energy: -82.628738
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -256.967812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.967812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.967812 (E_RNA)
where:
Base-Base interactions energy: -176.370
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.378
local terms energy: -80.219755
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -20.196
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: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -258.043561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.043561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.043561 (E_RNA)
where:
Base-Base interactions energy: -184.300
where: short stacking energy: -72.406
Base-Backbone interact. energy: -0.011
local terms energy: -73.732121
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -20.948
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: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -216.048052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.048052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.048052 (E_RNA)
where:
Base-Base interactions energy: -147.384
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.823
local terms energy: -67.841344
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -221.367223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.367223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.367223 (E_RNA)
where:
Base-Base interactions energy: -145.516
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.299
local terms energy: -75.552363
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.133
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: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -163.803845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.803845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.803845 (E_RNA)
where:
Base-Base interactions energy: -104.254
where: short stacking energy: -54.688
Base-Backbone interact. energy: 0.265
local terms energy: -59.814309
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -174.769294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.769294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.769294 (E_RNA)
where:
Base-Base interactions energy: -110.008
where: short stacking energy: -53.387
Base-Backbone interact. energy: -0.025
local terms energy: -64.736469
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -98.417409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.417409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.417409 (E_RNA)
where:
Base-Base interactions energy: -43.865
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.175
local terms energy: -54.377363
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -151.146794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.146794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.146794 (E_RNA)
where:
Base-Base interactions energy: -90.911
where: short stacking energy: -43.951
Base-Backbone interact. energy: -0.049
local terms energy: -60.186971
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -272.049295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.049295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.049295 (E_RNA)
where:
Base-Base interactions energy: -197.625
where: short stacking energy: -77.779
Base-Backbone interact. energy: -0.022
local terms energy: -74.402606
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -23.482
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: 458
Temperature: 0.950000
Total energy: -268.354900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.354900 (E_RNA)
where:
Base-Base interactions energy: -186.091
where: short stacking energy: -77.688
Base-Backbone interact. energy: -2.038
local terms energy: -80.225938
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -256.692518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.692518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.692518 (E_RNA)
where:
Base-Base interactions energy: -187.498
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.164
local terms energy: -69.031031
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -18.116
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: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -257.849584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.849584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.849584 (E_RNA)
where:
Base-Base interactions energy: -185.824
where: short stacking energy: -73.482
Base-Backbone interact. energy: 1.698
local terms energy: -73.723568
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -235.496685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.496685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.496685 (E_RNA)
where:
Base-Base interactions energy: -159.015
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.658
local terms energy: -75.823354
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -220.348762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.348762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.348762 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.141
local terms energy: -65.968242
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -164.199925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.199925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.199925 (E_RNA)
where:
Base-Base interactions energy: -105.703
where: short stacking energy: -49.371
Base-Backbone interact. energy: -0.965
local terms energy: -57.531760
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -164.282520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.282520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.282520 (E_RNA)
where:
Base-Base interactions energy: -106.644
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.043
local terms energy: -57.595040
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -13.897
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: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -151.287341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.287341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.287341 (E_RNA)
where:
Base-Base interactions energy: -94.439
where: short stacking energy: -49.896
Base-Backbone interact. energy: -0.257
local terms energy: -56.591623
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -84.143553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.143553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.143553 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -31.001
Base-Backbone interact. energy: 0.028
local terms energy: -44.996200
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: 0.903
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -270.945977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.945977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.945977 (E_RNA)
where:
Base-Base interactions energy: -200.026
where: short stacking energy: -78.222
Base-Backbone interact. energy: -0.256
local terms energy: -70.663795
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -258.829659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.829659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.829659 (E_RNA)
where:
Base-Base interactions energy: -186.458
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.220
local terms energy: -72.151891
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -17.463
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: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -263.736667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.736667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.736667 (E_RNA)
where:
Base-Base interactions energy: -188.431
where: short stacking energy: -75.105
Base-Backbone interact. energy: -0.059
local terms energy: -75.246620
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -254.055271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.055271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.055271 (E_RNA)
where:
Base-Base interactions energy: -173.124
where: short stacking energy: -70.808
Base-Backbone interact. energy: -0.042
local terms energy: -80.889040
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -220.373886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.373886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.373886 (E_RNA)
where:
Base-Base interactions energy: -146.151
where: short stacking energy: -62.689
Base-Backbone interact. energy: -1.050
local terms energy: -73.173681
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -14.011
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: 459
Temperature: 1.150000
Total energy: -212.230419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.230419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.230419 (E_RNA)
where:
Base-Base interactions energy: -138.350
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.290
local terms energy: -73.589810
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -162.030386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.030386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.030386 (E_RNA)
where:
Base-Base interactions energy: -100.775
where: short stacking energy: -45.386
Base-Backbone interact. energy: 0.073
local terms energy: -61.328967
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -170.813488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.813488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.813488 (E_RNA)
where:
Base-Base interactions energy: -107.563
where: short stacking energy: -62.500
Base-Backbone interact. energy: -0.008
local terms energy: -63.242441
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -16.837
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -155.605618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.605618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.605618 (E_RNA)
where:
Base-Base interactions energy: -99.334
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.049
local terms energy: -56.222860
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -82.246639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.246639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.246639 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.221
local terms energy: -51.328582
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -255.454881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.454881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.454881 (E_RNA)
where:
Base-Base interactions energy: -173.483
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.111
local terms energy: -81.860407
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -20.915
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: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -263.956883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.956883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.956883 (E_RNA)
where:
Base-Base interactions energy: -189.154
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.126
local terms energy: -74.676475
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -270.423990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.423990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.423990 (E_RNA)
where:
Base-Base interactions energy: -186.164
where: short stacking energy: -75.208
Base-Backbone interact. energy: -1.033
local terms energy: -83.227130
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -21.432
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: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -256.563496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.563496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.563496 (E_RNA)
where:
Base-Base interactions energy: -175.935
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.036
local terms energy: -80.592484
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -225.098275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.098275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.098275 (E_RNA)
where:
Base-Base interactions energy: -160.764
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.696
local terms energy: -63.638701
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -5.139
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: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -225.717643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.717643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.717643 (E_RNA)
where:
Base-Base interactions energy: -158.819
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.113
local terms energy: -66.786339
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -17.506
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: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -161.549130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.549130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.549130 (E_RNA)
where:
Base-Base interactions energy: -98.849
where: short stacking energy: -48.831
Base-Backbone interact. energy: -0.080
local terms energy: -62.620071
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -198.568754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.568754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.568754 (E_RNA)
where:
Base-Base interactions energy: -126.734
where: short stacking energy: -45.896
Base-Backbone interact. energy: -0.562
local terms energy: -71.273431
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.257
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: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -158.474347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.474347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.474347 (E_RNA)
where:
Base-Base interactions energy: -106.696
where: short stacking energy: -56.811
Base-Backbone interact. energy: 0.063
local terms energy: -51.841595
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -106.101889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.101889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.101889 (E_RNA)
where:
Base-Base interactions energy: -55.928
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.043
local terms energy: -50.131396
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -272.361887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.361887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.361887 (E_RNA)
where:
Base-Base interactions energy: -190.663
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.581
local terms energy: -81.117755
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -20.775
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: 461
Temperature: 0.950000
Total energy: -259.042746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.042746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.042746 (E_RNA)
where:
Base-Base interactions energy: -173.024
where: short stacking energy: -73.879
Base-Backbone interact. energy: -1.502
local terms energy: -84.516690
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -21.867
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: 461
Temperature: 1.000000
Total energy: -263.361457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.361457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.361457 (E_RNA)
where:
Base-Base interactions energy: -192.013
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.428
local terms energy: -70.919894
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -249.644209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.644209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.644209 (E_RNA)
where:
Base-Base interactions energy: -173.815
where: short stacking energy: -67.620
Base-Backbone interact. energy: -1.509
local terms energy: -74.320629
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -234.427173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.427173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.427173 (E_RNA)
where:
Base-Base interactions energy: -165.637
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.114
local terms energy: -68.676502
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -175.264004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.264004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.264004 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.030
local terms energy: -64.271220
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -13.770
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: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -209.100698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.100698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.100698 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.630
local terms energy: -62.053799
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.648
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: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -183.728990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.728990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.728990 (E_RNA)
where:
Base-Base interactions energy: -122.846
where: short stacking energy: -44.330
Base-Backbone interact. energy: -0.110
local terms energy: -60.772589
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -9.253
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: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -161.616157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.616157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.616157 (E_RNA)
where:
Base-Base interactions energy: -100.194
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.002
local terms energy: -61.420214
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -88.091826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.091826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.091826 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -24.384
Base-Backbone interact. energy: -0.445
local terms energy: -49.749828
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -271.880372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.880372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.880372 (E_RNA)
where:
Base-Base interactions energy: -193.125
where: short stacking energy: -77.909
Base-Backbone interact. energy: -0.419
local terms energy: -78.336107
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -261.494588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.494588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.494588 (E_RNA)
where:
Base-Base interactions energy: -181.009
where: short stacking energy: -75.248
Base-Backbone interact. energy: -1.395
local terms energy: -79.090678
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -258.221158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.221158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.221158 (E_RNA)
where:
Base-Base interactions energy: -178.724
where: short stacking energy: -76.515
Base-Backbone interact. energy: -0.687
local terms energy: -78.810384
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -19.451
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: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -266.379826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.379826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.379826 (E_RNA)
where:
Base-Base interactions energy: -193.949
where: short stacking energy: -69.365
Base-Backbone interact. energy: -0.002
local terms energy: -72.429512
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -21.123
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: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -228.713806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.713806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.713806 (E_RNA)
where:
Base-Base interactions energy: -157.182
where: short stacking energy: -62.679
Base-Backbone interact. energy: 0.885
local terms energy: -72.416721
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -163.301569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.301569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.301569 (E_RNA)
where:
Base-Base interactions energy: -96.266
where: short stacking energy: -52.225
Base-Backbone interact. energy: -0.028
local terms energy: -67.007475
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.188
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: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -200.053734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.053734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.053734 (E_RNA)
where:
Base-Base interactions energy: -135.549
where: short stacking energy: -51.532
Base-Backbone interact. energy: -0.154
local terms energy: -64.350639
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -10.182
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: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -159.317431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.317431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.317431 (E_RNA)
where:
Base-Base interactions energy: -94.622
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.191
local terms energy: -64.504709
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -145.121640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.121640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.121640 (E_RNA)
where:
Base-Base interactions energy: -94.853
where: short stacking energy: -53.472
Base-Backbone interact. energy: 1.270
local terms energy: -51.538861
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -0.241
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -87.641900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.641900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.641900 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -28.862
Base-Backbone interact. energy: -0.359
local terms energy: -56.155721
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -7.573
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -272.063141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.063141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.063141 (E_RNA)
where:
Base-Base interactions energy: -191.745
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.410
local terms energy: -79.908362
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -263.784517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.784517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.784517 (E_RNA)
where:
Base-Base interactions energy: -180.000
where: short stacking energy: -69.903
Base-Backbone interact. energy: -1.360
local terms energy: -82.424891
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -268.476024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.476024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.476024 (E_RNA)
where:
Base-Base interactions energy: -195.562
where: short stacking energy: -74.690
Base-Backbone interact. energy: -0.012
local terms energy: -72.901832
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -8.733
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -19.361
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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -214.797761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.797761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.797761 (E_RNA)
where:
Base-Base interactions energy: -143.797
where: short stacking energy: -63.891
Base-Backbone interact. energy: -2.616
local terms energy: -68.384702
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.409
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: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -254.355735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.355735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.355735 (E_RNA)
where:
Base-Base interactions energy: -181.304
where: short stacking energy: -78.218
Base-Backbone interact. energy: 0.591
local terms energy: -73.642753
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.822
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -199.881505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.881505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.881505 (E_RNA)
where:
Base-Base interactions energy: -131.332
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.219
local terms energy: -68.330273
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -178.635503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.635503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.635503 (E_RNA)
where:
Base-Base interactions energy: -113.840
where: short stacking energy: -53.757
Base-Backbone interact. energy: 0.270
local terms energy: -65.065568
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -13.565
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -158.558450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.558450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.558450 (E_RNA)
where:
Base-Base interactions energy: -100.266
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.185
local terms energy: -58.107122
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -146.998791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.998791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.998791 (E_RNA)
where:
Base-Base interactions energy: -92.673
where: short stacking energy: -41.000
Base-Backbone interact. energy: -0.161
local terms energy: -54.164610
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -3.058
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: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -84.482247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.482247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.482247 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -25.284
Base-Backbone interact. energy: -0.117
local terms energy: -48.218360
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -273.733486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.733486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.733486 (E_RNA)
where:
Base-Base interactions energy: -195.428
where: short stacking energy: -72.121
Base-Backbone interact. energy: -0.044
local terms energy: -78.261247
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -23.978
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: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -270.699320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.699320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.699320 (E_RNA)
where:
Base-Base interactions energy: -191.283
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.628
local terms energy: -78.788287
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -260.309835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.309835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.309835 (E_RNA)
where:
Base-Base interactions energy: -181.735
where: short stacking energy: -76.670
Base-Backbone interact. energy: -1.695
local terms energy: -76.880172
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -22.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -214.558937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.558937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.558937 (E_RNA)
where:
Base-Base interactions energy: -140.114
where: short stacking energy: -49.941
Base-Backbone interact. energy: -1.526
local terms energy: -72.918881
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -253.328306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.328306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.328306 (E_RNA)
where:
Base-Base interactions energy: -171.508
where: short stacking energy: -70.293
Base-Backbone interact. energy: -1.572
local terms energy: -80.248723
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -213.501089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.501089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.501089 (E_RNA)
where:
Base-Base interactions energy: -146.162
where: short stacking energy: -64.182
Base-Backbone interact. energy: -0.313
local terms energy: -67.025595
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -164.500877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.500877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.500877 (E_RNA)
where:
Base-Base interactions energy: -106.841
where: short stacking energy: -51.814
Base-Backbone interact. energy: -0.363
local terms energy: -57.297711
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -153.030073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.030073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.030073 (E_RNA)
where:
Base-Base interactions energy: -91.364
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.179
local terms energy: -61.487097
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -149.157694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.157694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.157694 (E_RNA)
where:
Base-Base interactions energy: -83.435
where: short stacking energy: -33.425
Base-Backbone interact. energy: -0.366
local terms energy: -65.356478
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -79.876342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.876342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.876342 (E_RNA)
where:
Base-Base interactions energy: -27.891
where: short stacking energy: -21.347
Base-Backbone interact. energy: -0.200
local terms energy: -51.785794
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: 3.597
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: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -271.358132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.358132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.358132 (E_RNA)
where:
Base-Base interactions energy: -194.606
where: short stacking energy: -77.547
Base-Backbone interact. energy: -0.605
local terms energy: -76.147499
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -263.308904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.308904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.308904 (E_RNA)
where:
Base-Base interactions energy: -186.260
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.453
local terms energy: -76.596309
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -258.264953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.264953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.264953 (E_RNA)
where:
Base-Base interactions energy: -175.654
where: short stacking energy: -74.890
Base-Backbone interact. energy: -1.166
local terms energy: -81.445270
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -23.606
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: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -253.406875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.406875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.406875 (E_RNA)
where:
Base-Base interactions energy: -171.626
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.822
local terms energy: -80.958850
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -208.223890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.223890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.223890 (E_RNA)
where:
Base-Base interactions energy: -136.836
where: short stacking energy: -54.295
Base-Backbone interact. energy: -0.962
local terms energy: -70.425882
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -13.752
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: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -213.348412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.348412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.348412 (E_RNA)
where:
Base-Base interactions energy: -151.860
where: short stacking energy: -55.044
Base-Backbone interact. energy: -0.211
local terms energy: -61.277126
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -198.103337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.103337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.103337 (E_RNA)
where:
Base-Base interactions energy: -126.552
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.456
local terms energy: -71.095548
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -163.025317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.025317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.025317 (E_RNA)
where:
Base-Base interactions energy: -96.390
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.004
local terms energy: -66.632085
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -167.301392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.301392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.301392 (E_RNA)
where:
Base-Base interactions energy: -108.835
where: short stacking energy: -52.808
Base-Backbone interact. energy: 1.762
local terms energy: -60.228369
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -88.709000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.709000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.709000 (E_RNA)
where:
Base-Base interactions energy: -37.988
where: short stacking energy: -37.221
Base-Backbone interact. energy: -0.023
local terms energy: -50.698362
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -267.736816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.736816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.736816 (E_RNA)
where:
Base-Base interactions energy: -188.262
where: short stacking energy: -77.152
Base-Backbone interact. energy: -0.493
local terms energy: -78.982073
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -23.492
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: 466
Temperature: 0.950000
Total energy: -263.649053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.649053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.649053 (E_RNA)
where:
Base-Base interactions energy: -184.441
where: short stacking energy: -74.137
Base-Backbone interact. energy: -0.920
local terms energy: -78.287998
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -20.346
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: 466
Temperature: 1.000000
Total energy: -258.106587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.106587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.106587 (E_RNA)
where:
Base-Base interactions energy: -187.009
where: short stacking energy: -75.220
Base-Backbone interact. energy: -0.559
local terms energy: -70.537890
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.657
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: 466
Temperature: 1.050000
Total energy: -262.786814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.786814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.786814 (E_RNA)
where:
Base-Base interactions energy: -188.562
where: short stacking energy: -67.756
Base-Backbone interact. energy: -0.068
local terms energy: -74.157095
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -213.506676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.506676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.506676 (E_RNA)
where:
Base-Base interactions energy: -151.998
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.373
local terms energy: -61.136282
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -12.711
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: 466
Temperature: 1.150000
Total energy: -211.088388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088388 (E_RNA)
where:
Base-Base interactions energy: -145.069
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.407
local terms energy: -65.612185
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -173.359401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.359401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.359401 (E_RNA)
where:
Base-Base interactions energy: -120.897
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.984
local terms energy: -51.477909
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -7.319
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: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -156.384578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.384578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.384578 (E_RNA)
where:
Base-Base interactions energy: -94.964
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.013
local terms energy: -61.407793
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -152.489322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.489322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.489322 (E_RNA)
where:
Base-Base interactions energy: -88.835
where: short stacking energy: -43.498
Base-Backbone interact. energy: -0.241
local terms energy: -63.413934
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -6.286
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: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -89.516087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.516087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.516087 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.355
local terms energy: -54.647452
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -263.527073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.527073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.527073 (E_RNA)
where:
Base-Base interactions energy: -182.802
where: short stacking energy: -73.610
Base-Backbone interact. energy: -2.275
local terms energy: -78.450131
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -257.857897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.857897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.857897 (E_RNA)
where:
Base-Base interactions energy: -186.809
where: short stacking energy: -71.172
Base-Backbone interact. energy: 0.431
local terms energy: -71.480075
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -267.256885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.256885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.256885 (E_RNA)
where:
Base-Base interactions energy: -188.639
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.158
local terms energy: -78.459422
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -265.141154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.141154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.141154 (E_RNA)
where:
Base-Base interactions energy: -181.132
where: short stacking energy: -75.051
Base-Backbone interact. energy: -1.741
local terms energy: -82.268168
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -23.143
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: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -215.211422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.211422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.211422 (E_RNA)
where:
Base-Base interactions energy: -147.824
where: short stacking energy: -56.263
Base-Backbone interact. energy: 0.198
local terms energy: -67.585714
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -12.108
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: 467
Temperature: 1.150000
Total energy: -210.302346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.302346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.302346 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.272
local terms energy: -68.467716
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -159.225083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.225083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.225083 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.210
local terms energy: -64.466363
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -11.295
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: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -152.308050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.308050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.308050 (E_RNA)
where:
Base-Base interactions energy: -97.513
where: short stacking energy: -53.571
Base-Backbone interact. energy: 0.103
local terms energy: -54.897830
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -162.776759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.776759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.776759 (E_RNA)
where:
Base-Base interactions energy: -100.670
where: short stacking energy: -47.686
Base-Backbone interact. energy: -0.233
local terms energy: -61.874069
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -86.823901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.823901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.823901 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.195
local terms energy: -47.947023
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -268.595871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.595871 (E_RNA)
where:
Base-Base interactions energy: -188.392
where: short stacking energy: -73.289
Base-Backbone interact. energy: -0.044
local terms energy: -80.159678
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -22.420
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: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -259.191235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.191235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.191235 (E_RNA)
where:
Base-Base interactions energy: -186.845
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.456
local terms energy: -71.889955
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -258.860651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.860651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.860651 (E_RNA)
where:
Base-Base interactions energy: -178.482
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.646
local terms energy: -79.732825
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -19.561
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: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -256.532955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.532955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.532955 (E_RNA)
where:
Base-Base interactions energy: -186.243
where: short stacking energy: -75.649
Base-Backbone interact. energy: -0.994
local terms energy: -69.295883
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -226.969618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.969618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.969618 (E_RNA)
where:
Base-Base interactions energy: -157.655
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.458
local terms energy: -68.857317
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -206.744154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.744154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.744154 (E_RNA)
where:
Base-Base interactions energy: -144.946
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.405
local terms energy: -61.392865
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -164.636787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.636787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.636787 (E_RNA)
where:
Base-Base interactions energy: -102.283
where: short stacking energy: -47.243
Base-Backbone interact. energy: -0.028
local terms energy: -62.325998
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -145.676486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.676486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.676486 (E_RNA)
where:
Base-Base interactions energy: -91.827
where: short stacking energy: -50.525
Base-Backbone interact. energy: -0.486
local terms energy: -53.363610
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -153.833772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.833772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.833772 (E_RNA)
where:
Base-Base interactions energy: -90.029
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.605
local terms energy: -63.199745
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -80.727022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.727022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.727022 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -23.771
Base-Backbone interact. energy: 0.478
local terms energy: -39.254208
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: 3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -262.934908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.934908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.934908 (E_RNA)
where:
Base-Base interactions energy: -178.904
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.017
local terms energy: -84.013730
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -20.339
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: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -258.250873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.250873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.250873 (E_RNA)
where:
Base-Base interactions energy: -180.756
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.271
local terms energy: -77.223273
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -23.286
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: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -257.693718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.693718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.693718 (E_RNA)
where:
Base-Base interactions energy: -180.925
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.190
local terms energy: -76.579178
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -253.731527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.731527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.731527 (E_RNA)
where:
Base-Base interactions energy: -175.060
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.383
local terms energy: -78.289198
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -213.843860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.843860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.843860 (E_RNA)
where:
Base-Base interactions energy: -148.169
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.389
local terms energy: -65.285879
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -205.868908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.868908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.868908 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.186
local terms energy: -62.700007
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.488
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: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -167.181946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.181946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.181946 (E_RNA)
where:
Base-Base interactions energy: -110.100
where: short stacking energy: -61.027
Base-Backbone interact. energy: 1.494
local terms energy: -58.575761
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.132
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: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -150.500313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.500313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.500313 (E_RNA)
where:
Base-Base interactions energy: -89.529
where: short stacking energy: -48.927
Base-Backbone interact. energy: -1.132
local terms energy: -59.838894
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -158.438861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.438861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.438861 (E_RNA)
where:
Base-Base interactions energy: -97.931
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.183
local terms energy: -60.324789
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -83.498960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498960 (E_RNA)
where:
Base-Base interactions energy: -37.438
where: short stacking energy: -36.484
Base-Backbone interact. energy: -0.030
local terms energy: -46.031303
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -266.246915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.246915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.246915 (E_RNA)
where:
Base-Base interactions energy: -181.620
where: short stacking energy: -75.698
Base-Backbone interact. energy: -0.461
local terms energy: -84.165754
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -259.684292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.684292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.684292 (E_RNA)
where:
Base-Base interactions energy: -174.130
where: short stacking energy: -69.891
Base-Backbone interact. energy: -0.298
local terms energy: -85.257051
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -21.089
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: 470
Temperature: 1.000000
Total energy: -261.809785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.809785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.809785 (E_RNA)
where:
Base-Base interactions energy: -179.451
where: short stacking energy: -74.031
Base-Backbone interact. energy: -1.298
local terms energy: -81.060233
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -249.339614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.339614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.339614 (E_RNA)
where:
Base-Base interactions energy: -176.768
where: short stacking energy: -74.204
Base-Backbone interact. energy: 0.144
local terms energy: -72.715474
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -221.936954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.936954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.936954 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -59.709
Base-Backbone interact. energy: -1.439
local terms energy: -68.850556
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -205.621087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.621087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.621087 (E_RNA)
where:
Base-Base interactions energy: -141.885
where: short stacking energy: -54.781
Base-Backbone interact. energy: -0.189
local terms energy: -63.546803
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -11.392
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: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -152.144462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.144462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.144462 (E_RNA)
where:
Base-Base interactions energy: -93.396
where: short stacking energy: -48.736
Base-Backbone interact. energy: -0.226
local terms energy: -58.523256
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -158.821744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.821744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.821744 (E_RNA)
where:
Base-Base interactions energy: -100.085
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.714
local terms energy: -58.022277
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -144.841674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.841674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.841674 (E_RNA)
where:
Base-Base interactions energy: -85.077
where: short stacking energy: -34.560
Base-Backbone interact. energy: -0.355
local terms energy: -59.409278
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.812
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)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -82.780592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.780592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.780592 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.109
local terms energy: -53.358892
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -271.189444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.189444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.189444 (E_RNA)
where:
Base-Base interactions energy: -181.454
where: short stacking energy: -78.875
Base-Backbone interact. energy: -1.562
local terms energy: -88.173303
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -24.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -261.398355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.398355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.398355 (E_RNA)
where:
Base-Base interactions energy: -181.033
where: short stacking energy: -74.515
Base-Backbone interact. energy: 0.436
local terms energy: -80.800843
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -21.318
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -255.609574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.609574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.609574 (E_RNA)
where:
Base-Base interactions energy: -179.593
where: short stacking energy: -73.012
Base-Backbone interact. energy: -0.390
local terms energy: -75.626987
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -21.533
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: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -259.234581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.234581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.234581 (E_RNA)
where:
Base-Base interactions energy: -182.513
where: short stacking energy: -75.443
Base-Backbone interact. energy: -1.762
local terms energy: -74.959134
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -227.817958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.817958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.817958 (E_RNA)
where:
Base-Base interactions energy: -156.258
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.917
local terms energy: -70.642881
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -12.951
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: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -203.416574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.416574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.416574 (E_RNA)
where:
Base-Base interactions energy: -136.539
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.273
local terms energy: -66.604193
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -12.577
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: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -156.020334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.020334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.020334 (E_RNA)
where:
Base-Base interactions energy: -88.653
where: short stacking energy: -42.676
Base-Backbone interact. energy: 0.295
local terms energy: -67.661508
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -154.984809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.984809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.984809 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -54.852
Base-Backbone interact. energy: 1.395
local terms energy: -48.585705
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -149.101721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.101721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.101721 (E_RNA)
where:
Base-Base interactions energy: -94.262
where: short stacking energy: -47.630
Base-Backbone interact. energy: -0.703
local terms energy: -54.135791
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -92.192920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.192920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.192920 (E_RNA)
where:
Base-Base interactions energy: -47.563
where: short stacking energy: -29.941
Base-Backbone interact. energy: -0.178
local terms energy: -44.451850
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -269.139188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.139188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.139188 (E_RNA)
where:
Base-Base interactions energy: -184.125
where: short stacking energy: -73.171
Base-Backbone interact. energy: -0.106
local terms energy: -84.908640
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -20.550
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: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -257.574213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.574213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.574213 (E_RNA)
where:
Base-Base interactions energy: -180.666
where: short stacking energy: -77.679
Base-Backbone interact. energy: -0.744
local terms energy: -76.164097
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -263.409822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.409822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.409822 (E_RNA)
where:
Base-Base interactions energy: -183.400
where: short stacking energy: -77.272
Base-Backbone interact. energy: -1.155
local terms energy: -78.854936
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -252.640014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.640014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.640014 (E_RNA)
where:
Base-Base interactions energy: -176.459
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.921
local terms energy: -75.259568
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -223.399572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.399572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.399572 (E_RNA)
where:
Base-Base interactions energy: -150.069
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.427
local terms energy: -72.903987
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -215.558369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.558369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558369 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -63.049
Base-Backbone interact. energy: -1.719
local terms energy: -68.219704
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -170.919737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.919737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.919737 (E_RNA)
where:
Base-Base interactions energy: -101.041
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.628
local terms energy: -69.250127
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -167.074294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.074294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.074294 (E_RNA)
where:
Base-Base interactions energy: -101.591
where: short stacking energy: -53.352
Base-Backbone interact. energy: -0.060
local terms energy: -65.423240
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -166.836253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.836253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.836253 (E_RNA)
where:
Base-Base interactions energy: -107.056
where: short stacking energy: -55.074
Base-Backbone interact. energy: 0.107
local terms energy: -59.887129
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -94.752626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.752626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.752626 (E_RNA)
where:
Base-Base interactions energy: -42.713
where: short stacking energy: -31.095
Base-Backbone interact. energy: -0.246
local terms energy: -51.793213
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -0.807
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: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -279.961208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.961208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.961208 (E_RNA)
where:
Base-Base interactions energy: -198.616
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.035
local terms energy: -81.309909
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -268.601704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.601704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.601704 (E_RNA)
where:
Base-Base interactions energy: -190.312
where: short stacking energy: -80.369
Base-Backbone interact. energy: 0.046
local terms energy: -78.335421
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -267.580794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.580794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.580794 (E_RNA)
where:
Base-Base interactions energy: -188.666
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.031
local terms energy: -78.883882
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -20.496
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: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -251.483687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.483687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.483687 (E_RNA)
where:
Base-Base interactions energy: -174.650
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.081
local terms energy: -76.752701
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -221.930192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.930192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.930192 (E_RNA)
where:
Base-Base interactions energy: -151.551
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.332
local terms energy: -70.046978
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -214.243526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.243526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.243526 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -62.772
Base-Backbone interact. energy: -1.657
local terms energy: -69.451978
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -163.434586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.434586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.434586 (E_RNA)
where:
Base-Base interactions energy: -104.403
where: short stacking energy: -48.953
Base-Backbone interact. energy: -0.120
local terms energy: -58.911776
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -9.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -173.294517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.294517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.294517 (E_RNA)
where:
Base-Base interactions energy: -112.255
where: short stacking energy: -57.025
Base-Backbone interact. energy: 0.378
local terms energy: -61.417366
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -157.460937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.460937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.460937 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -44.349
Base-Backbone interact. energy: -0.040
local terms energy: -64.061639
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -74.943114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943114 (E_RNA)
where:
Base-Base interactions energy: -31.347
where: short stacking energy: -18.964
Base-Backbone interact. energy: 2.393
local terms energy: -45.989748
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: 0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -268.871965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.871965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.871965 (E_RNA)
where:
Base-Base interactions energy: -181.081
where: short stacking energy: -82.317
Base-Backbone interact. energy: -1.855
local terms energy: -85.936386
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -260.692298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.692298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.692298 (E_RNA)
where:
Base-Base interactions energy: -179.070
where: short stacking energy: -77.617
Base-Backbone interact. energy: -1.026
local terms energy: -80.595580
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -22.022
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: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -267.412159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.412159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.412159 (E_RNA)
where:
Base-Base interactions energy: -182.444
where: short stacking energy: -75.884
Base-Backbone interact. energy: -0.051
local terms energy: -84.917234
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -21.612
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: 474
Temperature: 1.050000
Total energy: -252.196311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.196311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.196311 (E_RNA)
where:
Base-Base interactions energy: -177.364
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.085
local terms energy: -74.746455
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -227.130156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.130156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.130156 (E_RNA)
where:
Base-Base interactions energy: -155.137
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.121
local terms energy: -71.872435
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -13.852
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -195.749829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.749829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.749829 (E_RNA)
where:
Base-Base interactions energy: -141.060
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.040
local terms energy: -54.649418
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -8.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -192.769381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.769381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.769381 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.523
local terms energy: -71.371515
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -162.389614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.389614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.389614 (E_RNA)
where:
Base-Base interactions energy: -98.875
where: short stacking energy: -51.403
Base-Backbone interact. energy: -0.296
local terms energy: -63.218803
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -147.543474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.543474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.543474 (E_RNA)
where:
Base-Base interactions energy: -87.151
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.052
local terms energy: -60.339616
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -79.729983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729983 (E_RNA)
where:
Base-Base interactions energy: -38.802
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.378
local terms energy: -40.549750
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -271.599544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.599544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.599544 (E_RNA)
where:
Base-Base interactions energy: -189.871
where: short stacking energy: -82.083
Base-Backbone interact. energy: -1.311
local terms energy: -80.416634
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -267.102785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.102785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.102785 (E_RNA)
where:
Base-Base interactions energy: -183.478
where: short stacking energy: -74.519
Base-Backbone interact. energy: -1.363
local terms energy: -82.261743
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -260.107564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.107564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.107564 (E_RNA)
where:
Base-Base interactions energy: -181.052
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.028
local terms energy: -79.027584
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -252.646779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.646779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.646779 (E_RNA)
where:
Base-Base interactions energy: -172.019
where: short stacking energy: -67.268
Base-Backbone interact. energy: -1.934
local terms energy: -78.693253
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -219.500496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.500496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.500496 (E_RNA)
where:
Base-Base interactions energy: -146.010
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.745
local terms energy: -72.745589
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -13.568
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -186.559309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559309 (E_RNA)
where:
Base-Base interactions energy: -115.554
where: short stacking energy: -55.052
Base-Backbone interact. energy: -1.454
local terms energy: -69.550908
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -9.585
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: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -195.505893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.505893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.505893 (E_RNA)
where:
Base-Base interactions energy: -137.515
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.167
local terms energy: -57.824364
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -170.084423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.084423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.084423 (E_RNA)
where:
Base-Base interactions energy: -111.787
where: short stacking energy: -38.677
Base-Backbone interact. energy: -0.384
local terms energy: -57.913594
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -7.009
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: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -157.331931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.331931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.331931 (E_RNA)
where:
Base-Base interactions energy: -97.933
where: short stacking energy: -47.693
Base-Backbone interact. energy: -1.026
local terms energy: -58.372399
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -84.512619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.512619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.512619 (E_RNA)
where:
Base-Base interactions energy: -28.954
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.084
local terms energy: -55.473716
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -265.969588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.969588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.969588 (E_RNA)
where:
Base-Base interactions energy: -184.560
where: short stacking energy: -75.253
Base-Backbone interact. energy: -0.123
local terms energy: -81.286471
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -257.388689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.388689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.388689 (E_RNA)
where:
Base-Base interactions energy: -180.261
where: short stacking energy: -73.281
Base-Backbone interact. energy: 0.242
local terms energy: -77.369596
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -256.892662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.892662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.892662 (E_RNA)
where:
Base-Base interactions energy: -187.846
where: short stacking energy: -76.933
Base-Backbone interact. energy: -0.018
local terms energy: -69.028278
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -254.790572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.790572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.790572 (E_RNA)
where:
Base-Base interactions energy: -177.472
where: short stacking energy: -67.581
Base-Backbone interact. energy: -0.094
local terms energy: -77.224261
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -209.538329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.538329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.538329 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.070
local terms energy: -67.099400
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -166.728680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.728680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.728680 (E_RNA)
where:
Base-Base interactions energy: -103.203
where: short stacking energy: -46.803
Base-Backbone interact. energy: -0.221
local terms energy: -63.304731
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -224.645489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.645489 (E_RNA)
where:
Base-Base interactions energy: -155.881
where: short stacking energy: -62.320
Base-Backbone interact. energy: 0.378
local terms energy: -69.142637
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -164.068098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.068098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.068098 (E_RNA)
where:
Base-Base interactions energy: -102.767
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.120
local terms energy: -61.180716
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -13.904
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: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -157.114739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.114739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.114739 (E_RNA)
where:
Base-Base interactions energy: -97.330
where: short stacking energy: -51.324
Base-Backbone interact. energy: 0.413
local terms energy: -60.197426
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -85.618767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618767 (E_RNA)
where:
Base-Base interactions energy: -29.320
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.106
local terms energy: -56.192224
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -4.922
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: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -268.239791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.239791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.239791 (E_RNA)
where:
Base-Base interactions energy: -196.517
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.076
local terms energy: -71.646493
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -19.646
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -255.471042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.471042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.471042 (E_RNA)
where:
Base-Base interactions energy: -177.694
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.266
local terms energy: -77.511586
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -264.645585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.645585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.645585 (E_RNA)
where:
Base-Base interactions energy: -184.094
where: short stacking energy: -78.090
Base-Backbone interact. energy: -0.607
local terms energy: -79.944563
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -259.126421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.126421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.126421 (E_RNA)
where:
Base-Base interactions energy: -180.374
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.099
local terms energy: -78.653202
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -17.384
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: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -214.466749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.466749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.466749 (E_RNA)
where:
Base-Base interactions energy: -144.390
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.281
local terms energy: -69.795549
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -15.799
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: 477
Temperature: 1.150000
Total energy: -220.961235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.961235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.961235 (E_RNA)
where:
Base-Base interactions energy: -156.185
where: short stacking energy: -60.984
Base-Backbone interact. energy: 0.773
local terms energy: -65.549478
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -18.365
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: 477
Temperature: 1.200000
Total energy: -176.680294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.680294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.680294 (E_RNA)
where:
Base-Base interactions energy: -112.102
where: short stacking energy: -48.358
Base-Backbone interact. energy: -1.194
local terms energy: -63.383811
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -9.641
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: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -178.749661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.749661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.749661 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.316
local terms energy: -54.739259
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -158.236475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.236475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.236475 (E_RNA)
where:
Base-Base interactions energy: -106.083
where: short stacking energy: -53.214
Base-Backbone interact. energy: 0.473
local terms energy: -52.626302
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: 0.048
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -70.643142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.643142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.643142 (E_RNA)
where:
Base-Base interactions energy: -25.604
where: short stacking energy: -25.604
Base-Backbone interact. energy: -0.557
local terms energy: -44.482377
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -11.217
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: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -264.712591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.712591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.712591 (E_RNA)
where:
Base-Base interactions energy: -181.206
where: short stacking energy: -74.418
Base-Backbone interact. energy: -0.104
local terms energy: -83.401726
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -267.495735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.495735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.495735 (E_RNA)
where:
Base-Base interactions energy: -181.036
where: short stacking energy: -75.777
Base-Backbone interact. energy: -1.700
local terms energy: -84.759871
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -21.174
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: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -258.950682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.950682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.950682 (E_RNA)
where:
Base-Base interactions energy: -179.479
where: short stacking energy: -78.102
Base-Backbone interact. energy: -2.250
local terms energy: -77.220804
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -19.955
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: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -260.506364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.506364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.506364 (E_RNA)
where:
Base-Base interactions energy: -178.125
where: short stacking energy: -73.465
Base-Backbone interact. energy: -1.874
local terms energy: -80.507348
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -24.285
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: 478
Temperature: 1.100000
Total energy: -225.822117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.822117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.822117 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.422
local terms energy: -69.558645
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -14.109
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: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -225.184030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.184030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.184030 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -61.139
Base-Backbone interact. energy: -1.409
local terms energy: -69.727176
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -15.540
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: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -192.868144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.868144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.868144 (E_RNA)
where:
Base-Base interactions energy: -124.782
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.048
local terms energy: -68.037436
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -179.042346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.042346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.042346 (E_RNA)
where:
Base-Base interactions energy: -119.626
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.695
local terms energy: -58.721763
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -8.975
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: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -151.952531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.952531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.952531 (E_RNA)
where:
Base-Base interactions energy: -100.705
where: short stacking energy: -41.527
Base-Backbone interact. energy: -0.385
local terms energy: -50.863180
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -92.787057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.787057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.787057 (E_RNA)
where:
Base-Base interactions energy: -44.862
where: short stacking energy: -35.184
Base-Backbone interact. energy: 1.234
local terms energy: -49.159733
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -268.894070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.894070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.894070 (E_RNA)
where:
Base-Base interactions energy: -185.580
where: short stacking energy: -76.571
Base-Backbone interact. energy: -2.485
local terms energy: -80.828895
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -264.362919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.362919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.362919 (E_RNA)
where:
Base-Base interactions energy: -187.755
where: short stacking energy: -77.988
Base-Backbone interact. energy: -1.647
local terms energy: -74.960929
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -23.793
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: 479
Temperature: 1.000000
Total energy: -259.684428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.684428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.684428 (E_RNA)
where:
Base-Base interactions energy: -180.499
where: short stacking energy: -70.601
Base-Backbone interact. energy: -0.654
local terms energy: -78.530850
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -214.192720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.192720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.192720 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.327
local terms energy: -65.672117
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -256.022001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.022001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.022001 (E_RNA)
where:
Base-Base interactions energy: -180.517
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.231
local terms energy: -75.273911
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -203.233551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.233551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.233551 (E_RNA)
where:
Base-Base interactions energy: -147.768
where: short stacking energy: -56.544
Base-Backbone interact. energy: -1.081
local terms energy: -54.384407
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -8.345
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -10.951
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: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -166.024279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.024279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.024279 (E_RNA)
where:
Base-Base interactions energy: -96.518
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.403
local terms energy: -69.103339
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -161.213201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.213201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.213201 (E_RNA)
where:
Base-Base interactions energy: -108.975
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.267
local terms energy: -51.972044
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -5.466
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: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -175.645413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.645413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.645413 (E_RNA)
where:
Base-Base interactions energy: -121.266
where: short stacking energy: -50.375
Base-Backbone interact. energy: -0.391
local terms energy: -53.988273
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -11.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -90.210609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210609 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.876
local terms energy: -50.154795
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -267.244589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.244589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.244589 (E_RNA)
where:
Base-Base interactions energy: -185.516
where: short stacking energy: -74.607
Base-Backbone interact. energy: -1.106
local terms energy: -80.622902
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -265.802729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.802729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.802729 (E_RNA)
where:
Base-Base interactions energy: -182.849
where: short stacking energy: -78.099
Base-Backbone interact. energy: -0.308
local terms energy: -82.644898
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -258.577065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.577065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.577065 (E_RNA)
where:
Base-Base interactions energy: -177.220
where: short stacking energy: -71.883
Base-Backbone interact. energy: -0.331
local terms energy: -81.025926
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -220.172941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172941 (E_RNA)
where:
Base-Base interactions energy: -152.314
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.353
local terms energy: -67.506499
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -211.693965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.693965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.693965 (E_RNA)
where:
Base-Base interactions energy: -141.622
where: short stacking energy: -55.949
Base-Backbone interact. energy: -0.678
local terms energy: -69.393169
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -249.430248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.430248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.430248 (E_RNA)
where:
Base-Base interactions energy: -170.491
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.057
local terms energy: -78.882900
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -17.904
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: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -178.593367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.593367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593367 (E_RNA)
where:
Base-Base interactions energy: -113.932
where: short stacking energy: -56.002
Base-Backbone interact. energy: -0.848
local terms energy: -63.813099
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -9.205
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)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -156.053880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.053880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.053880 (E_RNA)
where:
Base-Base interactions energy: -93.550
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.115
local terms energy: -62.388154
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -175.602125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.602125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.602125 (E_RNA)
where:
Base-Base interactions energy: -111.101
where: short stacking energy: -49.537
Base-Backbone interact. energy: -0.678
local terms energy: -63.823200
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -93.079685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079685 (E_RNA)
where:
Base-Base interactions energy: -40.494
where: short stacking energy: -40.494
Base-Backbone interact. energy: -0.089
local terms energy: -52.496899
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -268.900606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.900606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.900606 (E_RNA)
where:
Base-Base interactions energy: -190.035
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.039
local terms energy: -78.825689
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -268.376918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.376918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.376918 (E_RNA)
where:
Base-Base interactions energy: -182.642
where: short stacking energy: -75.058
Base-Backbone interact. energy: -1.702
local terms energy: -84.032192
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -23.851
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: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -260.755570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.755570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.755570 (E_RNA)
where:
Base-Base interactions energy: -177.201
where: short stacking energy: -72.099
Base-Backbone interact. energy: -1.726
local terms energy: -81.827704
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -15.295
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: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -208.915748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.915748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.915748 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.395
local terms energy: -64.039657
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -228.181632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.181632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.181632 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.216
local terms energy: -73.691608
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -240.294422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.294422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.294422 (E_RNA)
where:
Base-Base interactions energy: -167.187
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.010
local terms energy: -73.097317
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -174.867271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.867271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.867271 (E_RNA)
where:
Base-Base interactions energy: -117.757
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.912
local terms energy: -56.198597
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -12.909
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: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -167.120900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.120900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.120900 (E_RNA)
where:
Base-Base interactions energy: -104.387
where: short stacking energy: -55.889
Base-Backbone interact. energy: 0.074
local terms energy: -62.807897
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -142.269771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.269771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.269771 (E_RNA)
where:
Base-Base interactions energy: -86.197
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.113
local terms energy: -55.959702
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -88.116196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.116196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.116196 (E_RNA)
where:
Base-Base interactions energy: -36.212
where: short stacking energy: -16.555
Base-Backbone interact. energy: -0.256
local terms energy: -51.648871
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -278.436775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.436775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.436775 (E_RNA)
where:
Base-Base interactions energy: -193.253
where: short stacking energy: -78.428
Base-Backbone interact. energy: -0.163
local terms energy: -85.020807
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -24.893
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: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -266.431335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.431335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.431335 (E_RNA)
where:
Base-Base interactions energy: -183.474
where: short stacking energy: -73.973
Base-Backbone interact. energy: -0.831
local terms energy: -82.126393
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -22.475
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: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -264.945533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.945533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.945533 (E_RNA)
where:
Base-Base interactions energy: -182.666
where: short stacking energy: -76.934
Base-Backbone interact. energy: -0.987
local terms energy: -81.291932
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -217.661373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.661373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.661373 (E_RNA)
where:
Base-Base interactions energy: -148.322
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.882
local terms energy: -68.457808
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -14.522
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: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -248.878945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.878945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.878945 (E_RNA)
where:
Base-Base interactions energy: -171.554
where: short stacking energy: -71.327
Base-Backbone interact. energy: -1.078
local terms energy: -76.247005
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -214.470017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.470017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.470017 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -58.719
Base-Backbone interact. energy: 1.045
local terms energy: -66.612093
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -191.312670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.312670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.312670 (E_RNA)
where:
Base-Base interactions energy: -123.403
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.010
local terms energy: -67.899233
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -13.660
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: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -142.925043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.925043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.925043 (E_RNA)
where:
Base-Base interactions energy: -82.298
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.070
local terms energy: -60.556460
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -142.719483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.719483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.719483 (E_RNA)
where:
Base-Base interactions energy: -88.692
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.191
local terms energy: -53.837050
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -86.315203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.315203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.315203 (E_RNA)
where:
Base-Base interactions energy: -21.624
where: short stacking energy: -19.672
Base-Backbone interact. energy: -0.145
local terms energy: -64.545485
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -267.274910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.274910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.274910 (E_RNA)
where:
Base-Base interactions energy: -192.415
where: short stacking energy: -73.018
Base-Backbone interact. energy: -0.052
local terms energy: -74.807390
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -258.678723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.678723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.678723 (E_RNA)
where:
Base-Base interactions energy: -178.797
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.206
local terms energy: -79.675302
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -269.270892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.270892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.270892 (E_RNA)
where:
Base-Base interactions energy: -197.443
where: short stacking energy: -78.635
Base-Backbone interact. energy: -0.020
local terms energy: -71.808151
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -259.946029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.946029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.946029 (E_RNA)
where:
Base-Base interactions energy: -179.377
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.015
local terms energy: -80.553719
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -21.938
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: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -223.303035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.303035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.303035 (E_RNA)
where:
Base-Base interactions energy: -151.594
where: short stacking energy: -55.056
Base-Backbone interact. energy: -1.188
local terms energy: -70.521010
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -213.488602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.488602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.488602 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.518
local terms energy: -71.482054
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -15.950
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: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -168.963707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.963707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.963707 (E_RNA)
where:
Base-Base interactions energy: -111.758
where: short stacking energy: -54.212
Base-Backbone interact. energy: -0.112
local terms energy: -57.093701
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -1.795
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -152.069750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.069750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.069750 (E_RNA)
where:
Base-Base interactions energy: -94.212
where: short stacking energy: -51.468
Base-Backbone interact. energy: -0.614
local terms energy: -57.242944
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -102.156004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.156004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.156004 (E_RNA)
where:
Base-Base interactions energy: -59.518
where: short stacking energy: -25.819
Base-Backbone interact. energy: -0.139
local terms energy: -42.499662
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: 3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -78.789941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.789941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.789941 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -35.386
Base-Backbone interact. energy: -0.160
local terms energy: -43.243521
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -1.130
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -265.359931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.359931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.359931 (E_RNA)
where:
Base-Base interactions energy: -183.047
where: short stacking energy: -80.438
Base-Backbone interact. energy: -1.355
local terms energy: -80.958062
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -267.284133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.284133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.284133 (E_RNA)
where:
Base-Base interactions energy: -187.154
where: short stacking energy: -74.018
Base-Backbone interact. energy: -1.049
local terms energy: -79.081606
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -16.317
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: 484
Temperature: 1.000000
Total energy: -258.927672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.927672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.927672 (E_RNA)
where:
Base-Base interactions energy: -178.110
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.477
local terms energy: -80.339932
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -21.223
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: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -257.875106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.875106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.875106 (E_RNA)
where:
Base-Base interactions energy: -183.665
where: short stacking energy: -77.051
Base-Backbone interact. energy: -1.109
local terms energy: -73.100884
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -218.546506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.546506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.546506 (E_RNA)
where:
Base-Base interactions energy: -142.145
where: short stacking energy: -63.977
Base-Backbone interact. energy: -0.136
local terms energy: -76.266218
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -18.625
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: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -209.064724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.064724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.064724 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.993
local terms energy: -62.998665
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -5.677
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: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -165.399335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.399335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.399335 (E_RNA)
where:
Base-Base interactions energy: -98.893
where: short stacking energy: -46.237
Base-Backbone interact. energy: -0.185
local terms energy: -66.321361
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -8.344
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: 484
Temperature: 1.250000
Total energy: -182.986015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.986015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.986015 (E_RNA)
where:
Base-Base interactions energy: -113.419
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.969
local terms energy: -68.597779
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -12.520
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: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -80.980723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980723 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.161
local terms energy: -42.306839
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: 0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -102.394937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.394937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.394937 (E_RNA)
where:
Base-Base interactions energy: -53.753
where: short stacking energy: -31.994
Base-Backbone interact. energy: -0.628
local terms energy: -48.013144
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -268.058528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.058528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.058528 (E_RNA)
where:
Base-Base interactions energy: -184.770
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.965
local terms energy: -82.323602
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -24.782
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: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -259.794283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.794283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.794283 (E_RNA)
where:
Base-Base interactions energy: -181.991
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.154
local terms energy: -77.648907
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -260.357559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.357559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.357559 (E_RNA)
where:
Base-Base interactions energy: -178.749
where: short stacking energy: -70.904
Base-Backbone interact. energy: -0.145
local terms energy: -81.463311
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -21.890
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: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -252.916276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.916276 (E_RNA)
where:
Base-Base interactions energy: -179.600
where: short stacking energy: -68.419
Base-Backbone interact. energy: -1.647
local terms energy: -71.668816
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -17.850
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: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -224.583319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.583319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.583319 (E_RNA)
where:
Base-Base interactions energy: -149.929
where: short stacking energy: -58.122
Base-Backbone interact. energy: 0.013
local terms energy: -74.666730
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -18.366
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: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -212.771945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.771945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.771945 (E_RNA)
where:
Base-Base interactions energy: -144.325
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.266
local terms energy: -68.181101
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -9.506
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: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -156.502513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.502513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.502513 (E_RNA)
where:
Base-Base interactions energy: -94.981
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.369
local terms energy: -61.152611
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -6.862
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: 485
Temperature: 1.250000
Total energy: -155.803779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.803779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.803779 (E_RNA)
where:
Base-Base interactions energy: -94.102
where: short stacking energy: -41.261
Base-Backbone interact. energy: -1.568
local terms energy: -60.134406
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -10.916
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: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -94.360585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.360585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.360585 (E_RNA)
where:
Base-Base interactions energy: -44.444
where: short stacking energy: -26.537
Base-Backbone interact. energy: 1.037
local terms energy: -50.954475
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -89.625589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.625589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.625589 (E_RNA)
where:
Base-Base interactions energy: -40.526
where: short stacking energy: -37.883
Base-Backbone interact. energy: -0.352
local terms energy: -48.748079
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -265.807490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.807490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.807490 (E_RNA)
where:
Base-Base interactions energy: -191.910
where: short stacking energy: -79.188
Base-Backbone interact. energy: -1.304
local terms energy: -72.593752
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -261.062169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.062169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.062169 (E_RNA)
where:
Base-Base interactions energy: -172.603
where: short stacking energy: -70.635
Base-Backbone interact. energy: -1.036
local terms energy: -87.423056
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -262.298251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.298251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.298251 (E_RNA)
where:
Base-Base interactions energy: -185.644
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.002
local terms energy: -76.652374
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -263.466608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.466608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.466608 (E_RNA)
where:
Base-Base interactions energy: -185.353
where: short stacking energy: -78.512
Base-Backbone interact. energy: 0.822
local terms energy: -78.935341
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -23.649
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -212.561077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.561077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561077 (E_RNA)
where:
Base-Base interactions energy: -146.013
where: short stacking energy: -53.077
Base-Backbone interact. energy: -1.201
local terms energy: -65.346595
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.807
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: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -211.275662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.275662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.275662 (E_RNA)
where:
Base-Base interactions energy: -150.237
where: short stacking energy: -59.422
Base-Backbone interact. energy: 0.646
local terms energy: -61.684669
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -190.929511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.929511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.929511 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -61.138
Base-Backbone interact. energy: -0.403
local terms energy: -70.609238
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -13.484
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: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -151.266305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.266305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.266305 (E_RNA)
where:
Base-Base interactions energy: -86.086
where: short stacking energy: -53.344
Base-Backbone interact. energy: -0.227
local terms energy: -64.954297
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -79.083120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083120 (E_RNA)
where:
Base-Base interactions energy: -24.716
where: short stacking energy: -23.231
Base-Backbone interact. energy: -0.107
local terms energy: -54.260392
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -77.902164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.902164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.902164 (E_RNA)
where:
Base-Base interactions energy: -28.277
where: short stacking energy: -26.662
Base-Backbone interact. energy: 1.293
local terms energy: -50.917836
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -270.557946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.557946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.557946 (E_RNA)
where:
Base-Base interactions energy: -186.551
where: short stacking energy: -84.061
Base-Backbone interact. energy: -0.723
local terms energy: -83.283714
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -22.120
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: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -267.220940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.220940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.220940 (E_RNA)
where:
Base-Base interactions energy: -187.971
where: short stacking energy: -79.159
Base-Backbone interact. energy: -1.241
local terms energy: -78.008948
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -272.483146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.483146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.483146 (E_RNA)
where:
Base-Base interactions energy: -188.931
where: short stacking energy: -79.749
Base-Backbone interact. energy: -1.880
local terms energy: -81.672065
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -251.626462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.626462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.626462 (E_RNA)
where:
Base-Base interactions energy: -185.390
where: short stacking energy: -75.566
Base-Backbone interact. energy: -1.027
local terms energy: -65.209106
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.328
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: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -226.963477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.963477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.963477 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.113
local terms energy: -74.770285
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -14.540
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: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -218.113924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.113924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.113924 (E_RNA)
where:
Base-Base interactions energy: -148.571
where: short stacking energy: -65.950
Base-Backbone interact. energy: 0.813
local terms energy: -70.355948
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -13.997
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: 487
Temperature: 1.200000
Total energy: -170.977304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.977304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.977304 (E_RNA)
where:
Base-Base interactions energy: -113.514
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.332
local terms energy: -57.130956
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -149.225247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.225247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.225247 (E_RNA)
where:
Base-Base interactions energy: -90.502
where: short stacking energy: -49.987
Base-Backbone interact. energy: -0.253
local terms energy: -58.469533
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -94.807339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.807339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.807339 (E_RNA)
where:
Base-Base interactions energy: -42.778
where: short stacking energy: -37.401
Base-Backbone interact. energy: -0.083
local terms energy: -51.945911
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -83.682083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.682083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.682083 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -31.485
Base-Backbone interact. energy: -0.259
local terms energy: -49.534207
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -1.800
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: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -271.730004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.730004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.730004 (E_RNA)
where:
Base-Base interactions energy: -186.673
where: short stacking energy: -82.058
Base-Backbone interact. energy: 0.141
local terms energy: -85.197941
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -22.275
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: 488
Temperature: 0.950000
Total energy: -265.544434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.544434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.544434 (E_RNA)
where:
Base-Base interactions energy: -183.351
where: short stacking energy: -77.865
Base-Backbone interact. energy: 0.733
local terms energy: -82.926539
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -22.315
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: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -257.448167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.448167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.448167 (E_RNA)
where:
Base-Base interactions energy: -180.800
where: short stacking energy: -69.298
Base-Backbone interact. energy: -0.266
local terms energy: -76.381707
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -261.243979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.243979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.243979 (E_RNA)
where:
Base-Base interactions energy: -183.442
where: short stacking energy: -71.421
Base-Backbone interact. energy: -1.123
local terms energy: -76.679146
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -229.877316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.877316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.877316 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.465
local terms energy: -69.252760
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -223.581360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.581360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.581360 (E_RNA)
where:
Base-Base interactions energy: -151.555
where: short stacking energy: -69.030
Base-Backbone interact. energy: -0.334
local terms energy: -71.692956
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -187.944694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.944694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.944694 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.216
local terms energy: -74.730155
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -151.196100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.196100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.196100 (E_RNA)
where:
Base-Base interactions energy: -90.066
where: short stacking energy: -40.547
Base-Backbone interact. energy: -0.876
local terms energy: -60.253906
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -7.525
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: 488
Temperature: 1.300000
Total energy: -86.919030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.919030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.919030 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -22.641
Base-Backbone interact. energy: -0.336
local terms energy: -49.690375
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.063770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.063770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.063770 (E_RNA)
where:
Base-Base interactions energy: -38.843
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.041
local terms energy: -46.179967
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: 0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -270.789879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.789879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.789879 (E_RNA)
where:
Base-Base interactions energy: -189.477
where: short stacking energy: -78.761
Base-Backbone interact. energy: -1.121
local terms energy: -80.191277
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -23.498
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: 489
Temperature: 0.950000
Total energy: -264.411508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.411508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.411508 (E_RNA)
where:
Base-Base interactions energy: -184.395
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.102
local terms energy: -79.914285
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -254.779948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.779948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.779948 (E_RNA)
where:
Base-Base interactions energy: -179.985
where: short stacking energy: -71.398
Base-Backbone interact. energy: -0.758
local terms energy: -74.036157
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -253.539855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.539855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.539855 (E_RNA)
where:
Base-Base interactions energy: -177.353
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.271
local terms energy: -75.915040
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -20.919
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: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -214.783504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.783504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.783504 (E_RNA)
where:
Base-Base interactions energy: -144.811
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.246
local terms energy: -69.726422
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -215.159210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.159210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.159210 (E_RNA)
where:
Base-Base interactions energy: -149.185
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.103
local terms energy: -65.871465
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -168.610754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.610754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.610754 (E_RNA)
where:
Base-Base interactions energy: -112.381
where: short stacking energy: -61.914
Base-Backbone interact. energy: 0.037
local terms energy: -56.266874
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -10.469
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: 489
Temperature: 1.250000
Total energy: -100.027714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.027714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.027714 (E_RNA)
where:
Base-Base interactions energy: -52.901
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.374
local terms energy: -46.752420
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: 1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -172.241546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.241546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.241546 (E_RNA)
where:
Base-Base interactions energy: -104.386
where: short stacking energy: -57.410
Base-Backbone interact. energy: -1.057
local terms energy: -66.798371
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -13.418
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: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -101.486803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.486803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.486803 (E_RNA)
where:
Base-Base interactions energy: -49.273
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.704
local terms energy: -51.509633
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -6.675
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)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -270.590820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.590820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.590820 (E_RNA)
where:
Base-Base interactions energy: -183.539
where: short stacking energy: -79.047
Base-Backbone interact. energy: -0.016
local terms energy: -87.036449
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -271.384754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.384754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.384754 (E_RNA)
where:
Base-Base interactions energy: -200.556
where: short stacking energy: -77.184
Base-Backbone interact. energy: -0.115
local terms energy: -70.713201
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -19.617
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: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -256.983814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.983814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.983814 (E_RNA)
where:
Base-Base interactions energy: -175.812
where: short stacking energy: -68.445
Base-Backbone interact. energy: -2.040
local terms energy: -79.132162
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -250.164742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.164742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.164742 (E_RNA)
where:
Base-Base interactions energy: -172.534
where: short stacking energy: -66.793
Base-Backbone interact. energy: -1.569
local terms energy: -76.062369
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -214.415471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.415471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.415471 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.275
local terms energy: -67.100148
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -217.873851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.873851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.873851 (E_RNA)
where:
Base-Base interactions energy: -147.401
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.413
local terms energy: -70.059994
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -98.274744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.274744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.274744 (E_RNA)
where:
Base-Base interactions energy: -41.944
where: short stacking energy: -35.909
Base-Backbone interact. energy: -0.143
local terms energy: -56.187547
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -151.625535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.625535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.625535 (E_RNA)
where:
Base-Base interactions energy: -100.680
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.183
local terms energy: -50.762342
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -9.036
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: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -102.458960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.458960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.458960 (E_RNA)
where:
Base-Base interactions energy: -52.971
where: short stacking energy: -40.767
Base-Backbone interact. energy: -0.183
local terms energy: -49.305327
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -146.772038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.772038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.772038 (E_RNA)
where:
Base-Base interactions energy: -90.560
where: short stacking energy: -46.963
Base-Backbone interact. energy: -0.087
local terms energy: -56.124985
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -12.062
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: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -271.844826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.844826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.844826 (E_RNA)
where:
Base-Base interactions energy: -182.290
where: short stacking energy: -80.545
Base-Backbone interact. energy: -0.309
local terms energy: -89.246418
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -23.129
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: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -265.479621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.479621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.479621 (E_RNA)
where:
Base-Base interactions energy: -183.738
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.756
local terms energy: -80.985672
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -22.419
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: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -249.859689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.859689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.859689 (E_RNA)
where:
Base-Base interactions energy: -174.065
where: short stacking energy: -73.045
Base-Backbone interact. energy: -1.326
local terms energy: -74.469438
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -18.701
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: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -237.581753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.581753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.581753 (E_RNA)
where:
Base-Base interactions energy: -161.774
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.656
local terms energy: -75.151305
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -14.753
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: 491
Temperature: 1.100000
Total energy: -249.331530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.331530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.331530 (E_RNA)
where:
Base-Base interactions energy: -175.357
where: short stacking energy: -78.617
Base-Backbone interact. energy: -0.518
local terms energy: -73.457121
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -212.645539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.645539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.645539 (E_RNA)
where:
Base-Base interactions energy: -141.975
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.696
local terms energy: -69.974503
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -143.587297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.587297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.587297 (E_RNA)
where:
Base-Base interactions energy: -80.790
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.014
local terms energy: -62.783327
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -11.117
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: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -100.613232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.613232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.613232 (E_RNA)
where:
Base-Base interactions energy: -54.107
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.173
local terms energy: -46.332679
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -155.853031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.853031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.853031 (E_RNA)
where:
Base-Base interactions energy: -92.999
where: short stacking energy: -49.202
Base-Backbone interact. energy: 0.118
local terms energy: -62.972745
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -104.397916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.397916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.397916 (E_RNA)
where:
Base-Base interactions energy: -50.427
where: short stacking energy: -31.583
Base-Backbone interact. energy: -0.374
local terms energy: -53.596810
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -262.997902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.997902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.997902 (E_RNA)
where:
Base-Base interactions energy: -179.617
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.008
local terms energy: -83.372746
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -11.150
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: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -265.904441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.904441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.904441 (E_RNA)
where:
Base-Base interactions energy: -187.675
where: short stacking energy: -80.157
Base-Backbone interact. energy: -0.618
local terms energy: -77.611286
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -265.299078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.299078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.299078 (E_RNA)
where:
Base-Base interactions energy: -193.039
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.348
local terms energy: -71.911845
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -224.726703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.726703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.726703 (E_RNA)
where:
Base-Base interactions energy: -155.357
where: short stacking energy: -58.099
Base-Backbone interact. energy: 0.653
local terms energy: -70.023059
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -249.673457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.673457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.673457 (E_RNA)
where:
Base-Base interactions energy: -174.595
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.025
local terms energy: -75.053375
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -7.462
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: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -210.497726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.497726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.497726 (E_RNA)
where:
Base-Base interactions energy: -144.930
where: short stacking energy: -58.663
Base-Backbone interact. energy: 0.683
local terms energy: -66.250330
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -12.151
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: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -163.546770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.546770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.546770 (E_RNA)
where:
Base-Base interactions energy: -96.973
where: short stacking energy: -53.508
Base-Backbone interact. energy: 0.755
local terms energy: -67.328911
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -124.171540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.171540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.171540 (E_RNA)
where:
Base-Base interactions energy: -64.481
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.149
local terms energy: -59.541980
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -5.630
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: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -146.679822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.679822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.679822 (E_RNA)
where:
Base-Base interactions energy: -86.492
where: short stacking energy: -39.805
Base-Backbone interact. energy: -0.606
local terms energy: -59.582261
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -79.382178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.382178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.382178 (E_RNA)
where:
Base-Base interactions energy: -32.727
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.228
local terms energy: -46.427548
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: 3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -267.356356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.356356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.356356 (E_RNA)
where:
Base-Base interactions energy: -187.085
where: short stacking energy: -79.009
Base-Backbone interact. energy: -1.012
local terms energy: -79.259343
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -263.937318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.937318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.937318 (E_RNA)
where:
Base-Base interactions energy: -195.758
where: short stacking energy: -72.295
Base-Backbone interact. energy: -0.180
local terms energy: -67.999243
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -14.907
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: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -258.334406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.334406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.334406 (E_RNA)
where:
Base-Base interactions energy: -181.757
where: short stacking energy: -72.708
Base-Backbone interact. energy: -1.479
local terms energy: -75.098412
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -252.387843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.387843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.387843 (E_RNA)
where:
Base-Base interactions energy: -176.706
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.106
local terms energy: -75.575482
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -229.068049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.068049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.068049 (E_RNA)
where:
Base-Base interactions energy: -158.942
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.333
local terms energy: -69.792740
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -15.125
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: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -204.259271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.259271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.259271 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.516
local terms energy: -61.443055
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -3.224
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -172.248163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.248163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.248163 (E_RNA)
where:
Base-Base interactions energy: -107.409
where: short stacking energy: -46.007
Base-Backbone interact. energy: -0.323
local terms energy: -64.515730
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -7.748
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: 493
Temperature: 1.250000
Total energy: -151.144531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.144531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.144531 (E_RNA)
where:
Base-Base interactions energy: -96.552
where: short stacking energy: -43.170
Base-Backbone interact. energy: -0.175
local terms energy: -54.417131
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -5.901
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: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -165.159659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.159659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.159659 (E_RNA)
where:
Base-Base interactions energy: -101.824
where: short stacking energy: -41.010
Base-Backbone interact. energy: 0.032
local terms energy: -63.367473
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -8.342
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: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -88.294790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294790 (E_RNA)
where:
Base-Base interactions energy: -30.894
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.246
local terms energy: -57.155210
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -277.759092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.759092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.759092 (E_RNA)
where:
Base-Base interactions energy: -206.936
where: short stacking energy: -72.563
Base-Backbone interact. energy: 1.566
local terms energy: -72.389433
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -263.660250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.660250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.660250 (E_RNA)
where:
Base-Base interactions energy: -175.872
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.577
local terms energy: -87.211368
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -261.535502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.535502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.535502 (E_RNA)
where:
Base-Base interactions energy: -183.928
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.017
local terms energy: -77.590838
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -21.106
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: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -254.310618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.310618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.310618 (E_RNA)
where:
Base-Base interactions energy: -168.935
where: short stacking energy: -68.673
Base-Backbone interact. energy: -2.081
local terms energy: -83.294593
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -221.838133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.838133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.838133 (E_RNA)
where:
Base-Base interactions energy: -148.040
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.767
local terms energy: -73.030888
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -17.237
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: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -221.076159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.076159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.076159 (E_RNA)
where:
Base-Base interactions energy: -149.501
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.524
local terms energy: -71.050473
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -15.859
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: 494
Temperature: 1.200000
Total energy: -169.574375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.574375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.574375 (E_RNA)
where:
Base-Base interactions energy: -109.855
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.011
local terms energy: -59.708458
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -15.728
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: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -157.753022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.753022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.753022 (E_RNA)
where:
Base-Base interactions energy: -102.790
where: short stacking energy: -55.417
Base-Backbone interact. energy: -1.060
local terms energy: -53.903185
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -8.412
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: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -170.308202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.308202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.308202 (E_RNA)
where:
Base-Base interactions energy: -113.624
where: short stacking energy: -56.246
Base-Backbone interact. energy: 0.990
local terms energy: -57.674305
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -88.160390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160390 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -21.370
Base-Backbone interact. energy: 0.535
local terms energy: -49.635701
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: 1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -259.855086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.855086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.855086 (E_RNA)
where:
Base-Base interactions energy: -182.943
where: short stacking energy: -66.656
Base-Backbone interact. energy: -0.750
local terms energy: -76.162051
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -264.249925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.249925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.249925 (E_RNA)
where:
Base-Base interactions energy: -190.299
where: short stacking energy: -76.173
Base-Backbone interact. energy: -0.002
local terms energy: -73.948967
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -265.839502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.839502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.839502 (E_RNA)
where:
Base-Base interactions energy: -189.669
where: short stacking energy: -71.478
Base-Backbone interact. energy: -0.371
local terms energy: -75.800301
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -218.558493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.558493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558493 (E_RNA)
where:
Base-Base interactions energy: -151.137
where: short stacking energy: -55.004
Base-Backbone interact. energy: 1.259
local terms energy: -68.680185
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -259.311744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.311744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.311744 (E_RNA)
where:
Base-Base interactions energy: -185.857
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.628
local terms energy: -72.826388
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -200.337509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337509 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.429
local terms energy: -70.105412
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -165.967283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.967283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.967283 (E_RNA)
where:
Base-Base interactions energy: -99.560
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.163
local terms energy: -66.244882
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -155.838504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.838504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.838504 (E_RNA)
where:
Base-Base interactions energy: -94.506
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.500
local terms energy: -60.832936
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -8.264
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: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -149.395721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.395721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.395721 (E_RNA)
where:
Base-Base interactions energy: -90.779
where: short stacking energy: -39.343
Base-Backbone interact. energy: -0.283
local terms energy: -58.333943
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -93.512951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.512951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.512951 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -43.497
Base-Backbone interact. energy: -0.175
local terms energy: -49.840698
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -7.081
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: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -268.139838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.139838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.139838 (E_RNA)
where:
Base-Base interactions energy: -190.258
where: short stacking energy: -75.695
Base-Backbone interact. energy: -0.308
local terms energy: -77.574004
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -21.611
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: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -261.609694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.609694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.609694 (E_RNA)
where:
Base-Base interactions energy: -180.200
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.748
local terms energy: -80.662174
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -19.121
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: 496
Temperature: 1.000000
Total energy: -259.959388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.959388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.959388 (E_RNA)
where:
Base-Base interactions energy: -178.472
where: short stacking energy: -76.515
Base-Backbone interact. energy: -0.423
local terms energy: -81.064925
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -216.068345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068345 (E_RNA)
where:
Base-Base interactions energy: -143.272
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.924
local terms energy: -71.873181
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -250.194492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.194492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.194492 (E_RNA)
where:
Base-Base interactions energy: -183.324
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.788
local terms energy: -66.082991
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.567
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: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -219.647508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.647508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.647508 (E_RNA)
where:
Base-Base interactions energy: -151.387
where: short stacking energy: -61.624
Base-Backbone interact. energy: 0.318
local terms energy: -68.578677
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -11.640
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: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -165.192207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.192207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.192207 (E_RNA)
where:
Base-Base interactions energy: -105.038
where: short stacking energy: -54.683
Base-Backbone interact. energy: -0.135
local terms energy: -60.019585
where:
bonds (distance) C4'-P energy: -6.322
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -12.416
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: 496
Temperature: 1.250000
Total energy: -154.841453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.841453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.841453 (E_RNA)
where:
Base-Base interactions energy: -96.363
where: short stacking energy: -46.860
Base-Backbone interact. energy: -0.171
local terms energy: -58.307746
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -92.742194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.742194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.742194 (E_RNA)
where:
Base-Base interactions energy: -35.687
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.134
local terms energy: -56.921302
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -10.667
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: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -146.062543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.062543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.062543 (E_RNA)
where:
Base-Base interactions energy: -91.617
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.281
local terms energy: -54.164849
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -270.183048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.183048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.183048 (E_RNA)
where:
Base-Base interactions energy: -188.048
where: short stacking energy: -79.490
Base-Backbone interact. energy: -0.995
local terms energy: -81.140065
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -264.416339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.416339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.416339 (E_RNA)
where:
Base-Base interactions energy: -182.577
where: short stacking energy: -84.258
Base-Backbone interact. energy: -1.100
local terms energy: -80.739609
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -12.833
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: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -261.780715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.780715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.780715 (E_RNA)
where:
Base-Base interactions energy: -200.383
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.114
local terms energy: -61.284036
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -17.612
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: 497
Temperature: 1.050000
Total energy: -259.806890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.806890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.806890 (E_RNA)
where:
Base-Base interactions energy: -189.570
where: short stacking energy: -74.226
Base-Backbone interact. energy: -0.049
local terms energy: -70.187434
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -21.855
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: 497
Temperature: 1.100000
Total energy: -215.439604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.439604 (E_RNA)
where:
Base-Base interactions energy: -151.036
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.623
local terms energy: -63.780065
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -219.183993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.183993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.183993 (E_RNA)
where:
Base-Base interactions energy: -154.265
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.128
local terms energy: -64.790400
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -158.266326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.266326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.266326 (E_RNA)
where:
Base-Base interactions energy: -93.150
where: short stacking energy: -47.523
Base-Backbone interact. energy: -1.026
local terms energy: -64.090364
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -11.665
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: 497
Temperature: 1.250000
Total energy: -162.072289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.072289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.072289 (E_RNA)
where:
Base-Base interactions energy: -102.792
where: short stacking energy: -52.481
Base-Backbone interact. energy: -1.529
local terms energy: -57.751670
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -7.915
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -96.945222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.945222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.945222 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.147
local terms energy: -50.794114
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -146.722378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.722378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.722378 (E_RNA)
where:
Base-Base interactions energy: -94.589
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.289
local terms energy: -51.843693
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -268.261788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.261788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.261788 (E_RNA)
where:
Base-Base interactions energy: -184.379
where: short stacking energy: -75.581
Base-Backbone interact. energy: -1.538
local terms energy: -82.344817
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -268.497674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.497674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.497674 (E_RNA)
where:
Base-Base interactions energy: -188.406
where: short stacking energy: -78.450
Base-Backbone interact. energy: -1.866
local terms energy: -78.225681
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -24.101
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: 498
Temperature: 1.000000
Total energy: -264.125194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.125194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.125194 (E_RNA)
where:
Base-Base interactions energy: -182.067
where: short stacking energy: -71.287
Base-Backbone interact. energy: -0.584
local terms energy: -81.474285
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -264.158393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.158393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.158393 (E_RNA)
where:
Base-Base interactions energy: -181.990
where: short stacking energy: -72.208
Base-Backbone interact. energy: -0.642
local terms energy: -81.526878
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -212.546897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.546897 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.184
local terms energy: -61.391864
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -15.672
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: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -214.192009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.192009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.192009 (E_RNA)
where:
Base-Base interactions energy: -144.326
where: short stacking energy: -50.967
Base-Backbone interact. energy: -1.066
local terms energy: -68.800509
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -151.230028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.230028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.230028 (E_RNA)
where:
Base-Base interactions energy: -89.391
where: short stacking energy: -41.856
Base-Backbone interact. energy: -0.760
local terms energy: -61.078382
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -155.558996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.558996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.558996 (E_RNA)
where:
Base-Base interactions energy: -94.260
where: short stacking energy: -47.962
Base-Backbone interact. energy: -0.978
local terms energy: -60.321374
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -152.626233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.626233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.626233 (E_RNA)
where:
Base-Base interactions energy: -92.009
where: short stacking energy: -51.083
Base-Backbone interact. energy: -0.034
local terms energy: -60.582968
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -92.630408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.630408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.630408 (E_RNA)
where:
Base-Base interactions energy: -49.636
where: short stacking energy: -32.622
Base-Backbone interact. energy: -0.176
local terms energy: -42.818858
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: 1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -265.326741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.326741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.326741 (E_RNA)
where:
Base-Base interactions energy: -179.797
where: short stacking energy: -74.735
Base-Backbone interact. energy: -0.315
local terms energy: -85.214244
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -271.276858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.276858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.276858 (E_RNA)
where:
Base-Base interactions energy: -189.635
where: short stacking energy: -80.361
Base-Backbone interact. energy: -0.002
local terms energy: -81.640046
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -260.971100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.971100 (E_RNA)
where:
Base-Base interactions energy: -187.309
where: short stacking energy: -77.542
Base-Backbone interact. energy: -1.283
local terms energy: -72.379368
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -21.065
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: 499
Temperature: 1.050000
Total energy: -258.998074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.998074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.998074 (E_RNA)
where:
Base-Base interactions energy: -182.416
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.278
local terms energy: -76.304386
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -16.973
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: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -219.398186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.398186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.398186 (E_RNA)
where:
Base-Base interactions energy: -155.711
where: short stacking energy: -52.859
Base-Backbone interact. energy: -0.580
local terms energy: -63.107196
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -208.450681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.450681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.450681 (E_RNA)
where:
Base-Base interactions energy: -140.903
where: short stacking energy: -56.484
Base-Backbone interact. energy: -1.104
local terms energy: -66.444491
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -17.495
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: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -181.710669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.710669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.710669 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.124
local terms energy: -64.553532
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -18.846
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: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -157.037127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.037127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.037127 (E_RNA)
where:
Base-Base interactions energy: -102.749
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.131
local terms energy: -54.157329
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -164.961424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.961424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.961424 (E_RNA)
where:
Base-Base interactions energy: -102.525
where: short stacking energy: -57.136
Base-Backbone interact. energy: -0.463
local terms energy: -61.973712
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -10.813
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: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -91.280293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.280293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.280293 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.215
local terms energy: -51.573951
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -268.086255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.086255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.086255 (E_RNA)
where:
Base-Base interactions energy: -188.187
where: short stacking energy: -73.197
Base-Backbone interact. energy: -0.087
local terms energy: -79.811730
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -255.816532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.816532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.816532 (E_RNA)
where:
Base-Base interactions energy: -179.348
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.126
local terms energy: -76.342607
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.411
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)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -265.564437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.564437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.564437 (E_RNA)
where:
Base-Base interactions energy: -190.869
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.014
local terms energy: -74.681592
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.984
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: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -253.739077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.739077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.739077 (E_RNA)
where:
Base-Base interactions energy: -180.223
where: short stacking energy: -78.934
Base-Backbone interact. energy: -0.663
local terms energy: -72.853358
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -21.458
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -232.089921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.089921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.089921 (E_RNA)
where:
Base-Base interactions energy: -162.908
where: short stacking energy: -70.411
Base-Backbone interact. energy: -0.332
local terms energy: -68.849650
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -20.594
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: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -218.019154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.019154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.019154 (E_RNA)
where:
Base-Base interactions energy: -154.505
where: short stacking energy: -65.425
Base-Backbone interact. energy: 0.749
local terms energy: -64.263493
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -15.448
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: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -169.979412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.979412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.979412 (E_RNA)
where:
Base-Base interactions energy: -99.350
where: short stacking energy: -51.538
Base-Backbone interact. energy: -0.454
local terms energy: -70.175303
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -151.494313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.494313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.494313 (E_RNA)
where:
Base-Base interactions energy: -90.642
where: short stacking energy: -44.716
Base-Backbone interact. energy: -0.305
local terms energy: -60.547024
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -142.859302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.859302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.859302 (E_RNA)
where:
Base-Base interactions energy: -79.634
where: short stacking energy: -38.011
Base-Backbone interact. energy: -0.346
local terms energy: -62.880132
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -90.468360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.468360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.468360 (E_RNA)
where:
Base-Base interactions energy: -45.147
where: short stacking energy: -25.846
Base-Backbone interact. energy: 0.987
local terms energy: -46.308158
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -265.140658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.140658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.140658 (E_RNA)
where:
Base-Base interactions energy: -190.492
where: short stacking energy: -77.386
Base-Backbone interact. energy: -0.032
local terms energy: -74.617026
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -262.346233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.346233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.346233 (E_RNA)
where:
Base-Base interactions energy: -182.334
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.407
local terms energy: -79.605092
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -21.535
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: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -256.349498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.349498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.349498 (E_RNA)
where:
Base-Base interactions energy: -173.867
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.493
local terms energy: -81.990038
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -222.342966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.342966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.342966 (E_RNA)
where:
Base-Base interactions energy: -149.419
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.155
local terms energy: -72.769039
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -247.204786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.204786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.204786 (E_RNA)
where:
Base-Base interactions energy: -174.663
where: short stacking energy: -63.016
Base-Backbone interact. energy: -0.063
local terms energy: -72.479166
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -217.010586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.010586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.010586 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -64.003
Base-Backbone interact. energy: 1.777
local terms energy: -65.003696
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -155.995089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.995089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.995089 (E_RNA)
where:
Base-Base interactions energy: -99.375
where: short stacking energy: -37.784
Base-Backbone interact. energy: -0.219
local terms energy: -56.401371
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -152.342819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.342819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.342819 (E_RNA)
where:
Base-Base interactions energy: -91.625
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.100
local terms energy: -60.617906
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -92.814334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.814334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.814334 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -35.859
Base-Backbone interact. energy: -0.244
local terms energy: -56.711446
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -67.456759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.456759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.456759 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -22.221
Base-Backbone interact. energy: 0.634
local terms energy: -30.896075
where:
bonds (distance) C4'-P energy: -7.404
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: 8.744
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)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16051079
moves confirmed later: 18988093
all moves confirmed: 35039172
percent of confirmed moves: 4.379897
current total energy: -227.194298
recalc. total energy: -227.194298
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 9668477
moves confirmed later: 10408205
all moves confirmed: 20076682
percent of confirmed moves: 2.509585
current total energy: -234.329684
recalc. total energy: -234.329684
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 13925026
moves confirmed later: 16069154
all moves confirmed: 29994180
percent of confirmed moves: 3.749273
current total energy: -232.428535
recalc. total energy: -232.428535
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14401069
moves confirmed later: 17206895
all moves confirmed: 31607964
percent of confirmed moves: 3.950995
current total energy: -183.736185
recalc. total energy: -183.736185
replica 9 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 11013346
moves confirmed later: 12207945
all moves confirmed: 23221291
percent of confirmed moves: 2.902661
current total energy: -221.565723
recalc. total energy: -221.565723
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 15752758
moves confirmed later: 18925626
all moves confirmed: 34678384
percent of confirmed moves: 4.334798
current total energy: -151.848067
recalc. total energy: -151.848067
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 15595450
moves confirmed later: 18674764
all moves confirmed: 34270214
percent of confirmed moves: 4.283777
current total energy: -129.331228
recalc. total energy: -129.331228
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 22457783
moves confirmed later: 27451295
all moves confirmed: 49909078
percent of confirmed moves: 6.238635
current total energy: -115.129670
recalc. total energy: -115.129670
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 20980188
moves confirmed later: 25581831
all moves confirmed: 46562019
percent of confirmed moves: 5.820252
current total energy: -49.868659
recalc. total energy: -49.868659
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 21155537
moves confirmed later: 25713477
all moves confirmed: 46869014
percent of confirmed moves: 5.858627
current total energy: -21.273682
recalc. total energy: -21.273682
out arg RESULTS//1/e17-f544e6d1_01
Time of doing 8000000 iterations: 1499.681 seconds